action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
AddAtomAction | 39d5c771-1e6f-451a-a75f-122e8a1e530c | mp-36529 | Add one Dy atom at the Cartesian coordinate [ 5.263 1.619 10.875] to the cif file. | data_image0
_chemical_formula_structural Na3W10O30
_chemical_formula_sum "Na3 W10 O30"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na3W10O30Dy
_chemical_formula_sum "Na3 W10 O30 Dy1"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 552a701f-0368-46c0-8bb4-f9cd054fbce6 | mp-1192151 | Add one Mn atom at the Cartesian coordinate [2.667 1.207 4.103] to the cif file. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8Mn
_chemical_formula_sum "Rb4 Zn10 As8 Mn1"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_gro... |
AddAtomAction | d07d9680-e154-429d-ac76-7065f2c62b23 | mp-1190262 | Add one Li atom at the Cartesian coordinate [0.18 4.76 4.069] to the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2Li
_chemical_formula_sum "Zr10 Sb6 Ru2 Li1"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H... |
AddAtomAction | 584b5116-ca38-4dd1-929c-6e85e8e2b75a | mp-1174686 | Add one O atom at the Cartesian coordinate [-0.364 0.617 8.029] to the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_space_gro... | data_image0
_chemical_formula_structural Li8Mn2Co4O15
_chemical_formula_sum "Li8 Mn2 Co4 O15"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_space_gro... |
AddAtomAction | dd9db430-45cc-4e9f-8b7c-0f07813cca13 | mp-776484 | Add one Am atom at the Cartesian coordinate [ 7.499 3.306 11.135] to the cif file. | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P16O58Am
_chemical_formula_sum "Li12 Sn6 P16 O58 Am1"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
... |
AddAtomAction | 0dd3d276-6810-4c7f-b6b9-733fdbe65a9c | mp-36982 | Add one Fr atom at the Cartesian coordinate [1.303 9.741 4.871] to the cif file. | data_image0
_chemical_formula_structural Mg2Ti16S32
_chemical_formula_sum "Mg2 Ti16 S32"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg2Ti16S32Fr
_chemical_formula_sum "Mg2 Ti16 S32 Fr1"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | ec03b73b-b092-4ab5-8b17-7cacbe7efcbb | mp-1214497 | Add one F atom at the Cartesian coordinate [4.348 1.582 6.571] to the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F3
_chemical_formula_sum "Ba10 P6 O24 F3"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... |
AddAtomAction | 40aba80d-3060-48ce-a3a6-e51d022c3d81 | mp-534935 | Add one Ru atom at the Cartesian coordinate [12.012 11.774 9.188] to the cif file. | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18
_chemical_formula_sum "Sr3 Pr10 Al12 Si18 N36 O18"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle_gamma... | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18Ru
_chemical_formula_sum "Sr3 Pr10 Al12 Si18 N36 O18 Ru1"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle... |
AddAtomAction | 37e282a2-8ae5-45f5-92dc-2ed41e47b003 | mp-5626 | Add one C atom at the Cartesian coordinate [ 2.308 10.463 3.343] to the cif file. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural K12Sb4Te12C
_chemical_formula_sum "K12 Sb4 Te12 C1"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 689dbedb-9ee4-4901-a647-59fd7a86d01e | mp-772666 | Add one Zn atom at the Cartesian coordinate [3.17 1.889 5.453] to the cif file. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4O14Zn
_chemical_formula_sum "Li4 Cr4 O14 Zn1"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_spac... |
AddAtomAction | 87ac740b-a89c-43ab-9da4-22e4bccea310 | mp-1214285 | Add one La atom at the Cartesian coordinate [ 2.733 10.106 5.048] to the cif file. | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Be8Si8Ag16O32La
_chemical_formula_sum "Be8 Si8 Ag16 O32 La1"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 58567b0c-2834-4081-b8b4-6cfb8b181724 | mp-580962 | Add one Hg atom at the Cartesian coordinate [1.315 4.315 3.132] to the cif file. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb2C4I6N4Hg
_chemical_formula_sum "Rb2 C4 I6 N4 Hg1"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | b924105c-2bd3-41e4-8e66-d7b6132ff3bf | mp-6192 | Add one Nb atom at the Cartesian coordinate [6.472 6.679 4.657] to the cif file. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural Ba2DySbO6Nb
_chemical_formula_sum "Ba2 Dy1 Sb1 O6 Nb1"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma... |
AddAtomAction | 5ac607db-2d01-4d55-970f-49dc23f7de74 | mp-771389 | Add one B atom at the Cartesian coordinate [5.915 6.626 2.907] to the cif file. | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... | data_image0
_chemical_formula_structural Li8V12Bi4O32B
_chemical_formula_sum "Li8 V12 Bi4 O32 B1"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_spa... |
AddAtomAction | 7ebdf48e-bb11-4d6b-ac2a-7e3c852c020f | mp-6606 | Add one Lu atom at the Cartesian coordinate [1.565 4.288 6.648] to the cif file. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2Y2Si8N14Lu
_chemical_formula_sum "Sr2 Y2 Si8 N14 Lu1"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_gr... |
AddAtomAction | b4b57e7d-191a-417d-9d79-f9c47b18e844 | mp-777562 | Add one Pu atom at the Cartesian coordinate [16.134 4.224 3.09 ] to the cif file. | data_image0
_chemical_formula_structural Li10Mn3F16
_chemical_formula_sum "Li10 Mn3 F16"
_cell_length_a 10.26234743
_cell_length_b 10.26234743
_cell_length_c 10.26234763
_cell_angle_alpha 34.448470730000004
_cell_angle_beta 34.448470730000004
_cell_angle_gamma 34.448468579... | data_image0
_chemical_formula_structural Li10Mn3F16Pu
_chemical_formula_sum "Li10 Mn3 F16 Pu1"
_cell_length_a 10.26234743
_cell_length_b 10.26234743
_cell_length_c 10.26234763
_cell_angle_alpha 34.448470730000004
_cell_angle_beta 34.448470730000004
_cell_angle_gamma 34.448... |
AddAtomAction | fc049227-1418-48ce-a04c-85cbe0ba5844 | mp-554409 | Add one Rn atom at the Cartesian coordinate [2.41 8.828 3.774] to the cif file. | data_image0
_chemical_formula_structural Na14Fe8P12O48
_chemical_formula_sum "Na14 Fe8 P12 O48"
_cell_length_a 9.8960954
_cell_length_b 9.8960954
_cell_length_c 9.896095039999999
_cell_angle_alpha 86.67409009
_cell_angle_beta 86.67409009
_cell_angle_gamma 86.67408996
_spa... | data_image0
_chemical_formula_structural Na14Fe8P12O48Rn
_chemical_formula_sum "Na14 Fe8 P12 O48 Rn1"
_cell_length_a 9.8960954
_cell_length_b 9.8960954
_cell_length_c 9.896095039999999
_cell_angle_alpha 86.67409009
_cell_angle_beta 86.67409009
_cell_angle_gamma 86.67408996... |
AddAtomAction | 240c9559-b923-4d15-a73d-214ed9f94ebf | mp-756993 | Add one N atom at the Cartesian coordinate [2.485 7.179 4.672] to the cif file. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14N
_chemical_formula_sum "Li4 Co2 P4 O14 N1"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_s... |
AddAtomAction | b3247113-7895-4789-8de0-83702a945dec | mp-1019520 | Add one Hg atom at the Cartesian coordinate [6.256 2.695 0.197] to the cif file. | data_image0
_chemical_formula_structural Ba6Ca4Si4N12
_chemical_formula_sum "Ba6 Ca4 Si4 N12"
_cell_length_a 6.13164704
_cell_length_b 6.13164704
_cell_length_c 13.44096987
_cell_angle_alpha 80.18250428
_cell_angle_beta 80.18250428
_cell_angle_gamma 68.29839738
_space_gro... | data_image0
_chemical_formula_structural Ba6Ca4Si4N12Hg
_chemical_formula_sum "Ba6 Ca4 Si4 N12 Hg1"
_cell_length_a 6.13164704
_cell_length_b 6.13164704
_cell_length_c 13.44096987
_cell_angle_alpha 80.18250428
_cell_angle_beta 80.18250428
_cell_angle_gamma 68.29839738
_spa... |
AddAtomAction | 95a31426-6e65-47a4-90c0-c0ac79612c04 | mp-1023076 | Add one Lr atom at the Cartesian coordinate [4.215 3.883 5.104] to the cif file. | data_image0
_chemical_formula_structural Rb2Mg12Mn2
_chemical_formula_sum "Rb2 Mg12 Mn2"
_cell_length_a 5.047298
_cell_length_b 6.619425
_cell_length_c 12.113575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Rb2Mg12Mn2Lr
_chemical_formula_sum "Rb2 Mg12 Mn2 Lr1"
_cell_length_a 5.047298
_cell_length_b 6.619425
_cell_length_c 12.113575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | abfc7a34-3046-4d40-af65-5619aa389c5e | mp-35143 | Add one Os atom at the Cartesian coordinate [2.045 0.294 2.111] to the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6Os
_chemical_formula_sum "Ba2 Nb2 S6 Os1"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M... |
AddAtomAction | 847309bb-c753-460b-8a65-22bafcc9b487 | mp-1226671 | Add one Ac atom at the Cartesian coordinate [ 2.936 2.018 17.372] to the cif file. | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co4P6H22N4O18Ac
_chemical_formula_sum "Co4 P6 H22 N4 O18 Ac1"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_gro... |
AddAtomAction | 55b502fb-a0e0-4e01-b514-5df1fe66b4ef | mp-1188153 | Add one Br atom at the Cartesian coordinate [6.811 2.092 6.949] to the cif file. | data_image0
_chemical_formula_structural Ti10Ga6
_chemical_formula_sum "Ti10 Ga6"
_cell_length_a 4.976478
_cell_length_b 7.67882184
_cell_length_c 7.67882184
_cell_angle_alpha 83.97275885000002
_cell_angle_beta 71.09263475
_cell_angle_gamma 71.09263475
_space_group_name_H... | data_image0
_chemical_formula_structural Ti10Ga6Br
_chemical_formula_sum "Ti10 Ga6 Br1"
_cell_length_a 4.976478
_cell_length_b 7.67882184
_cell_length_c 7.67882184
_cell_angle_alpha 83.97275885000002
_cell_angle_beta 71.09263475
_cell_angle_gamma 71.09263475
_space_group_... |
AddAtomAction | 21ea5960-2cb8-4b85-8d88-414e714c6a27 | mp-736701 | Add one Ne atom at the Cartesian coordinate [3.854 7.55 7.472] to the cif file. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40Ne
_chemical_formula_sum "P16 Pt4 I4 O40 Ne1"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | 632dccd0-6f23-4bb3-bbf4-38253db961fa | mp-1569720 | Add one Y atom at the Cartesian coordinate [1.557 0.752 3.924] to the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12Y
_chemical_formula_sum "Li4 Si4 Ni2 O12 Y1"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.519... |
AddAtomAction | 232f8f10-bc0b-45f0-b3c8-88dc57b0fcd7 | mp-1028023 | Add one Na atom at the Cartesian coordinate [-1.035 2.701 3.007] to the cif file. | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural YMg14WNa
_chemical_formula_sum "Y1 Mg14 W1 Na1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... |
AddAtomAction | edc94097-5b97-4f39-9c7a-639047da6aab | mp-1520242 | Add one Nh atom at the Cartesian coordinate [6.164 4.373 1.942] to the cif file. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6Nh
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6 Nh1"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
AddAtomAction | 547a6019-10f9-41ca-905c-49deb528ff8e | mp-1113343 | Add one Pr atom at the Cartesian coordinate [10.362 6.296 0.723] to the cif file. | data_image0
_chemical_formula_structural Rb2LaCuCl6
_chemical_formula_sum "Rb2 La1 Cu1 Cl6"
_cell_length_a 7.52618154
_cell_length_b 7.52618154
_cell_length_c 7.52618154
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2LaCuCl6Pr
_chemical_formula_sum "Rb2 La1 Cu1 Cl6 Pr1"
_cell_length_a 7.52618154
_cell_length_b 7.52618154
_cell_length_c 7.52618154
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
AddAtomAction | fff516f3-a67a-4209-9b7e-c255123dfff6 | mp-554183 | Add one Be atom at the Cartesian coordinate [ 5.133 4.137 10.641] to the cif file. | data_image0
_chemical_formula_structural Zr2Hg6S4Cl12
_chemical_formula_sum "Zr2 Hg6 S4 Cl12"
_cell_length_a 7.544576
_cell_length_b 6.78409
_cell_length_c 13.284343279999998
_cell_angle_alpha 88.5274253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr2Hg6S4Cl12Be
_chemical_formula_sum "Zr2 Hg6 S4 Cl12 Be1"
_cell_length_a 7.544576
_cell_length_b 6.78409
_cell_length_c 13.284343279999998
_cell_angle_alpha 88.5274253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
AddAtomAction | cffce570-549e-4b5b-bdf5-53b442446583 | mp-8762 | Add one Hg atom at the Cartesian coordinate [0.393 1.163 0.201] to the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4Hg
_chemical_formula_sum "Er8 S8 O4 Hg1"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | e6fcd559-ea81-4b8f-9c62-dac5cc969a1c | mp-28507 | Add one Os atom at the Cartesian coordinate [14.898 14.307 2.144] to the cif file. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44Os
_chemical_formula_sum "La16 Nb14 S44 Os1"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M... |
AddAtomAction | e9536090-cdfd-46cf-98e4-8b4d1fefc893 | mp-975336 | Add one Hg atom at the Cartesian coordinate [3.397 3.739 7.627] to the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural K4C4S4N4Hg
_chemical_formula_sum "K4 C4 S4 N4 Hg1"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | 87c1c489-5140-4c92-b706-4131f1f6ef6a | mp-1073136 | Add one V atom at the Cartesian coordinate [13.852 2.481 5.099] to the cif file. | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Si6V
_chemical_formula_sum "Mg4 Si6 V1"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_a... |
AddAtomAction | 2e46a5d1-810a-4265-b88b-fb6b147dd8f5 | mp-734797 | Add one Ti atom at the Cartesian coordinate [2.157 9.528 7.068] to the cif file. | data_image0
_chemical_formula_structural Na12P16O48
_chemical_formula_sum "Na12 P16 O48"
_cell_length_a 10.093384
_cell_length_b 8.84461
_cell_length_c 14.5321717
_cell_angle_alpha 52.48451104000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12P16O48Ti
_chemical_formula_sum "Na12 P16 O48 Ti1"
_cell_length_a 10.093384
_cell_length_b 8.84461
_cell_length_c 14.5321717
_cell_angle_alpha 52.48451104000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | 24ed06fd-1eb3-4435-9e9e-da725afe6f5f | mp-1020592 | Add one Rf atom at the Cartesian coordinate [6.865 4.16 3.605] to the cif file. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2Rf
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2 Rf1"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | ff12ce83-bacf-41bb-9cbc-93d1e8ff949b | mp-754319 | Add one Hs atom at the Cartesian coordinate [2.064 5.067 1.361] to the cif file. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8Hs
_chemical_formula_sum "Li3 Nb1 Ni4 O8 Hs1"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838... |
AddAtomAction | 9ad88607-b006-4ad9-8be3-9c7024ec956a | mp-1226356 | Add one Ge atom at the Cartesian coordinate [ 5.737 11.595 4.948] to the cif file. | data_image0
_chemical_formula_structural Dy20In40Rh19
_chemical_formula_sum "Dy20 In40 Rh19"
_cell_length_a 13.573736
_cell_length_b 13.573736
_cell_length_c 9.436804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Dy20In40Rh19Ge
_chemical_formula_sum "Dy20 In40 Rh19 Ge1"
_cell_length_a 13.573736
_cell_length_b 13.573736
_cell_length_c 9.436804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 943d00f8-8b92-45d4-b7b1-a0bd4cfc78aa | mp-1224332 | Add one Mt atom at the Cartesian coordinate [28.083 4.599 2.26 ] to the cif file. | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... | data_image0
_chemical_formula_structural InAs4Pd15Mt
_chemical_formula_sum "In1 As4 Pd15 Mt1"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531... |
AddAtomAction | 1ada3d5c-73f3-4cc5-bfbd-10aa4fcc7ad2 | mp-772223 | Add one Po atom at the Cartesian coordinate [6.201 6.922 6.792] to the cif file. | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12Fe4B8O24Po
_chemical_formula_sum "Na12 Fe4 B8 O24 Po1"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | bd8781e6-4e3d-4a97-bd67-a88e5614a879 | mp-3887 | Add one Yb atom at the Cartesian coordinate [-0.133 2.369 5.94 ] to the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16Yb
_chemical_formula_sum "Li24 Ga8 N16 Yb1"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.470385330000... |
AddAtomAction | 7bffe2fb-115b-4d6b-8666-633ecc4b23bb | mp-1221055 | Add one Ho atom at the Cartesian coordinate [2.326 7.864 2.774] to the cif file. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31Ho
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31 Ho1"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 11... |
AddAtomAction | 01fbf779-8189-4fa2-85fc-a401ecc40ba4 | mp-753686 | Add one Fr atom at the Cartesian coordinate [ 0.902 10.231 0.749] to the cif file. | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4Fr
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4 Fr1"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89... |
AddAtomAction | 24e91b52-60a5-4389-9d4f-c9710c8271eb | mp-1516711 | Add one Br atom at the Cartesian coordinate [6.931 8.439 3.884] to the cif file. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24Br
_chemical_formula_sum "Sr8 Sm4 Nb4 O24 Br1"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | bdd8e163-a6de-46ea-ac6c-b3a910812a73 | mp-866741 | Add one Ts atom at the Cartesian coordinate [9.835 4.921 3.046] to the cif file. | data_image0
_chemical_formula_structural LiNd9Mo16O35
_chemical_formula_sum "Li1 Nd9 Mo16 O35"
_cell_length_a 10.15639579
_cell_length_b 10.15639579
_cell_length_c 9.90256916
_cell_angle_alpha 79.14377329000001
_cell_angle_beta 79.14377329000001
_cell_angle_gamma 50.938229... | data_image0
_chemical_formula_structural LiNd9Mo16O35Ts
_chemical_formula_sum "Li1 Nd9 Mo16 O35 Ts1"
_cell_length_a 10.15639579
_cell_length_b 10.15639579
_cell_length_c 9.90256916
_cell_angle_alpha 79.14377329000001
_cell_angle_beta 79.14377329000001
_cell_angle_gamma 50.... |
AddAtomAction | 7b064ba8-44c5-4da3-9c89-021613212bd9 | mp-757167 | Add one Lu atom at the Cartesian coordinate [3.727 3.421 5.199] to the cif file. | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... | data_image0
_chemical_formula_structural Li12Si6Ni6O24Lu
_chemical_formula_sum "Li12 Si6 Ni6 O24 Lu1"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma ... |
AddAtomAction | 3615c23c-4b14-4ab4-a982-abcf9d2d0cf5 | mp-1190262 | Add one Tb atom at the Cartesian coordinate [3.747 1.895 3.322] to the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2Tb
_chemical_formula_sum "Zr10 Sb6 Ru2 Tb1"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H... |
AddAtomAction | e537fe87-69f7-4a8d-b752-a9ba8b601e53 | mp-1110620 | Add one No atom at the Cartesian coordinate [3.992 0.754 1.124] to the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6No
_chemical_formula_sum "Na2 Tl1 Co1 F6 No1"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958... |
AddAtomAction | 765ec63d-959f-4d2a-a110-9c1a1a56777e | mp-1214585 | Add one Mg atom at the Cartesian coordinate [0.593 0.352 6.779] to the cif file. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2PrCu3O6Mg
_chemical_formula_sum "Ba2 Pr1 Cu3 O6 Mg1"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 7fef466c-6334-4208-93b7-d5d6d870a6de | mp-555776 | Add one Ts atom at the Cartesian coordinate [1.521 0.376 2.685] to the cif file. | data_image0
_chemical_formula_structural K12Sc4Mo12O48
_chemical_formula_sum "K12 Sc4 Mo12 O48"
_cell_length_a 9.38062564
_cell_length_b 10.91916168
_cell_length_c 13.68100805
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K12Sc4Mo12O48Ts
_chemical_formula_sum "K12 Sc4 Mo12 O48 Ts1"
_cell_length_a 9.38062564
_cell_length_b 10.91916168
_cell_length_c 13.68100805
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | 66daa0f6-6154-430a-afa5-afef1b2bb36f | mp-1229067 | Add one Db atom at the Cartesian coordinate [-0.345 -1.684 4.783] to the cif file. | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba10Y5Cu15O32Db
_chemical_formula_sum "Ba10 Y5 Cu15 O32 Db1"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma ... |
AddAtomAction | 998bb880-d444-480f-9e82-89860cb63692 | mp-1020027 | Add one Rh atom at the Cartesian coordinate [1.169 8.617 7.38 ] to the cif file. | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li16P8O28Rh
_chemical_formula_sum "Li16 P8 O28 Rh1"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 4f4d911d-1df0-422e-a3c1-7fe96d01f018 | mp-1179899 | Add one Sc atom at the Cartesian coordinate [ 4.558 1.302 15.364] to the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Pt4N8Cl8O8Sc
_chemical_formula_sum "Pt4 N8 Cl8 O8 Sc1"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 1749eef7-b809-4860-8225-6d42678be6a0 | mp-630927 | Add one Ir atom at the Cartesian coordinate [12.445 3.998 4.431] to the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6Ir
_chemical_formula_sum "Pb4 Se1 Br6 Ir1"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_spac... |
AddAtomAction | deec2e4a-80ff-41ac-821e-45e530c8a06a | mp-984755 | Add one Nd atom at the Cartesian coordinate [10.725 4.018 1.817] to the cif file. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22Nd
_chemical_formula_sum "Nb8 Ag4 O22 Nd1"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.... |
AddAtomAction | be556a2b-4e18-4348-a502-7f029d120d2f | mp-560404 | Add one Ce atom at the Cartesian coordinate [5.723 6.043 6.979] to the cif file. | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... | data_image0
_chemical_formula_structural In4H4Se4O16Ce
_chemical_formula_sum "In4 H4 Se4 O16 Ce1"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_gr... |
AddAtomAction | d01da4b8-4123-43df-a12b-2a1d22a06953 | mp-766179 | Add one Er atom at the Cartesian coordinate [ 6.534 2.208 10.6 ] to the cif file. | data_image0
_chemical_formula_structural Li4Si12Bi4O32
_chemical_formula_sum "Li4 Si12 Bi4 O32"
_cell_length_a 7.74983439
_cell_length_b 7.749834389999999
_cell_length_c 12.95761985
_cell_angle_alpha 83.61454607
_cell_angle_beta 83.61454607
_cell_angle_gamma 113.0654753599... | data_image0
_chemical_formula_structural Li4Si12Bi4O32Er
_chemical_formula_sum "Li4 Si12 Bi4 O32 Er1"
_cell_length_a 7.74983439
_cell_length_b 7.749834389999999
_cell_length_c 12.95761985
_cell_angle_alpha 83.61454607
_cell_angle_beta 83.61454607
_cell_angle_gamma 113.0654... |
AddAtomAction | cace41c9-0819-41c6-8882-ccf93f258cde | mp-676665 | Add one Rn atom at the Cartesian coordinate [ 3.241 -0.48 2.897] to the cif file. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24Rn
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24 Rn1"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma ... |
AddAtomAction | e7aa19a9-13b3-4142-a53c-6ef87c0ecfd1 | mp-1197785 | Add one Pb atom at the Cartesian coordinate [2.742 2.502 1.767] to the cif file. | data_image0
_chemical_formula_structural H24C4S8N8
_chemical_formula_sum "H24 C4 S8 N8"
_cell_length_a 8.74992576
_cell_length_b 8.74992576
_cell_length_c 9.477412150000001
_cell_angle_alpha 57.72534230000001
_cell_angle_beta 57.72534230000001
_cell_angle_gamma 64.8671258
... | data_image0
_chemical_formula_structural H24C4S8N8Pb
_chemical_formula_sum "H24 C4 S8 N8 Pb1"
_cell_length_a 8.74992576
_cell_length_b 8.74992576
_cell_length_c 9.477412150000001
_cell_angle_alpha 57.72534230000001
_cell_angle_beta 57.72534230000001
_cell_angle_gamma 64.86... |
AddAtomAction | c7057acf-add3-4846-b8ec-1f2453e3003c | mp-558208 | Add one Be atom at the Cartesian coordinate [3.323 1.032 0.773] to the cif file. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O28Be
_chemical_formula_sum "Rb4 In4 As8 O28 Be1"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
... |
AddAtomAction | ae2037f2-2b74-4e95-8291-83b18b9a5f71 | mp-1095479 | Add one Co atom at the Cartesian coordinate [3.927 0.988 2.07 ] to the cif file. | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Gd4S8Co
_chemical_formula_sum "Gd4 S8 Co1"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 9c59d6c1-6a2d-4c96-b1ae-fee02b08d3ce | mp-1048547 | Add one Sn atom at the Cartesian coordinate [2.957 1.527 2.225] to the cif file. | data_image0
_chemical_formula_structural Zn2Ni4O8
_chemical_formula_sum "Zn2 Ni4 O8"
_cell_length_a 5.62862077
_cell_length_b 5.88821498
_cell_length_c 5.62875115
_cell_angle_alpha 61.43564079000001
_cell_angle_beta 90.00562176
_cell_angle_gamma 118.56359498
_space_group_... | data_image0
_chemical_formula_structural Zn2Ni4O8Sn
_chemical_formula_sum "Zn2 Ni4 O8 Sn1"
_cell_length_a 5.62862077
_cell_length_b 5.88821498
_cell_length_c 5.62875115
_cell_angle_alpha 61.43564079000001
_cell_angle_beta 90.00562176
_cell_angle_gamma 118.56359498
_space_... |
AddAtomAction | 775fad86-8bfc-4f42-bbcb-9cff61d254c3 | mp-753610 | Add one Sb atom at the Cartesian coordinate [5.384 1.247 5.68 ] to the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8Sb
_chemical_formula_sum "Ba2 Ca2 I8 Sb1"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M... |
AddAtomAction | f2817256-59fc-44af-a4c2-a8feac774ffa | mp-570363 | Add one Fr atom at the Cartesian coordinate [-4.6 6.478 0.331] to the cif file. | data_image0
_chemical_formula_structural Li8Si8
_chemical_formula_sum "Li8 Si8"
_cell_length_a 8.12714356
_cell_length_b 8.12714356
_cell_length_c 8.12714356
_cell_angle_alpha 102.42516628
_cell_angle_beta 102.42516628
_cell_angle_gamma 124.72731542
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Si8Fr
_chemical_formula_sum "Li8 Si8 Fr1"
_cell_length_a 8.12714356
_cell_length_b 8.12714356
_cell_length_c 8.12714356
_cell_angle_alpha 102.42516628
_cell_angle_beta 102.42516628
_cell_angle_gamma 124.72731542
_space_group_nam... |
AddAtomAction | e4a8cb26-4897-42be-b5ac-03f9f34ab0c3 | mp-1179444 | Add one Ho atom at the Cartesian coordinate [ 6.806 10.892 9.66 ] to the cif file. | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8Ho
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8 Ho1"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | c88d1c58-8708-4eaf-b6c9-7b58ff9ddd80 | mp-757139 | Add one Bk atom at the Cartesian coordinate [5.961 1.922 3.529] to the cif file. | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... | data_image0
_chemical_formula_structural Li6TiMn3P6O24Bk
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24 Bk1"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.4064406200000... |
AddAtomAction | 093e8977-dbae-462e-ae64-6e2f7589fec9 | mp-1176707 | Add one Lu atom at the Cartesian coordinate [4.768 3.164 6.934] to the cif file. | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... | data_image0
_chemical_formula_structural Li6Fe6F18Lu
_chemical_formula_sum "Li6 Fe6 F18 Lu1"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_... |
AddAtomAction | e431734a-9337-4b71-aaaf-f7493527bd24 | mp-1209411 | Add one Cd atom at the Cartesian coordinate [-1.626 3.699 5.538] to the cif file. | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr8Si12Pd4Cd
_chemical_formula_sum "Pr8 Si12 Pd4 Cd1"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-... |
AddAtomAction | eeeff1d5-0fec-42d3-86bb-d39baee4c758 | mp-680506 | Add one N atom at the Cartesian coordinate [ 8.575 11.21 3.27 ] to the cif file. | data_image0
_chemical_formula_structural Pt8Cl32
_chemical_formula_sum "Pt8 Cl32"
_cell_length_a 11.484831
_cell_length_b 11.484831
_cell_length_c 11.484831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Pt8Cl32N
_chemical_formula_sum "Pt8 Cl32 N1"
_cell_length_a 11.484831
_cell_length_b 11.484831
_cell_length_c 11.484831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
AddAtomAction | f58b3108-1601-4eaf-a2b7-b27d460e5adf | mp-5169 | Add one Tc atom at the Cartesian coordinate [-0.152 3.868 4.651] to the cif file. | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... | data_image0
_chemical_formula_structural Cu8P4O18Tc
_chemical_formula_sum "Cu8 P4 O18 Tc1"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_... |
AddAtomAction | 29d648c0-5ed6-4b90-9944-a2c4a97846de | mp-6632 | Add one Ni atom at the Cartesian coordinate [-2.834 6.015 2.7 ] to the cif file. | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... | data_image0
_chemical_formula_structural Ca5B3O9FNi
_chemical_formula_sum "Ca5 B3 O9 F1 Ni1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
... |
AddAtomAction | 17218d18-6f59-4674-a97f-60abcdb05495 | mp-1356129 | Add one Os atom at the Cartesian coordinate [8.259 3.582 0.893] to the cif file. | data_image0
_chemical_formula_structural Fe16O24
_chemical_formula_sum "Fe16 O24"
_cell_length_a 8.23347377
_cell_length_b 8.23347377
_cell_length_c 9.492212840000002
_cell_angle_alpha 54.80432635
_cell_angle_beta 54.80432635
_cell_angle_gamma 70.17763754
_space_group_nam... | data_image0
_chemical_formula_structural Fe16O24Os
_chemical_formula_sum "Fe16 O24 Os1"
_cell_length_a 8.23347377
_cell_length_b 8.23347377
_cell_length_c 9.492212840000002
_cell_angle_alpha 54.80432635
_cell_angle_beta 54.80432635
_cell_angle_gamma 70.17763754
_space_gro... |
AddAtomAction | b069f444-d07d-40bc-a085-953520f0850c | mp-1234180 | Add one U atom at the Cartesian coordinate [3.587 1.836 5.189] to the cif file. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.78146478
_cell_length_b 7.69389385
_cell_length_c 9.90764584
_cell_angle_alpha 112.42220027
_cell_angle_beta 98.9634139
_cell_angle_gamma 94.8287487
_... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16U
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16 U1"
_cell_length_a 5.78146478
_cell_length_b 7.69389385
_cell_length_c 9.90764584
_cell_angle_alpha 112.42220027
_cell_angle_beta 98.9634139
_cell_angle_gamma 94.828748... |
AddAtomAction | 28966ff6-a06f-4838-bed3-a0d86fb46e62 | mp-2219373 | Add one Th atom at the Cartesian coordinate [3.651 3.672 2.951] to the cif file. | data_image0
_chemical_formula_structural MgFe2Co2O8
_chemical_formula_sum "Mg1 Fe2 Co2 O8"
_cell_length_a 5.36442764
_cell_length_b 5.770939509999999
_cell_length_c 4.87736258
_cell_angle_alpha 96.21295982
_cell_angle_beta 85.29789048
_cell_angle_gamma 104.97687678
_space... | data_image0
_chemical_formula_structural MgFe2Co2O8Th
_chemical_formula_sum "Mg1 Fe2 Co2 O8 Th1"
_cell_length_a 5.36442764
_cell_length_b 5.770939509999999
_cell_length_c 4.87736258
_cell_angle_alpha 96.21295982
_cell_angle_beta 85.29789048
_cell_angle_gamma 104.97687678
... |
AddAtomAction | 1bb8da94-7daa-45b3-87f2-6bc5750d6d40 | mp-849387 | Add one Ts atom at the Cartesian coordinate [2.051 9.543 3.479] to the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF11Ts
_chemical_formula_sum "Cu6 O1 F11 Ts1"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_spa... |
AddAtomAction | dfb6dde1-a364-46bc-ae6e-9aaa085c9cda | mp-773514 | Add one Mo atom at the Cartesian coordinate [1.281 5.564 3.608] to the cif file. | data_image0
_chemical_formula_structural Li8Co4O12
_chemical_formula_sum "Li8 Co4 O12"
_cell_length_a 3.290481
_cell_length_b 8.204106
_cell_length_c 9.696948
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Li8Co4O12Mo
_chemical_formula_sum "Li8 Co4 O12 Mo1"
_cell_length_a 3.290481
_cell_length_b 8.204106
_cell_length_c 9.696948
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | 2a7066c4-a6b2-419f-8b9e-ed3dfcf99440 | mp-735027 | Add one B atom at the Cartesian coordinate [0.043 0.989 5.303] to the cif file. | data_image0
_chemical_formula_structural V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural V4S8N4O36B
_chemical_formula_sum "V4 S8 N4 O36 B1"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
AddAtomAction | f11dc1c0-1fbd-4db5-8a25-2815cfdef757 | mp-18753 | Add one Am atom at the Cartesian coordinate [5.139 3.161 1.616] to the cif file. | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... | data_image0
_chemical_formula_structural Na3MoO3F3Am
_chemical_formula_sum "Na3 Mo1 O3 F3 Am1"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
... |
AddAtomAction | 39fe8e6d-2451-4d37-b2e8-aca404f31dad | mp-2231666 | Add one Be atom at the Cartesian coordinate [5.662 4.321 1.109] to the cif file. | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... | data_image0
_chemical_formula_structural MgTiMnV4O12Be
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12 Be1"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.071264779999... |
AddAtomAction | ffb0a19e-e70f-417c-a240-b9e33dec6cb2 | mp-1191291 | Add one Pm atom at the Cartesian coordinate [4.215 2.658 4.145] to the cif file. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4S2Br8N4O6Pm
_chemical_formula_sum "Hg4 S2 Br8 N4 O6 Pm1"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | e802c48c-bf85-4fdf-9476-5c5f3f021c18 | mp-1022967 | Add one Nd atom at the Cartesian coordinate [1.338 1.333 8.726] to the cif file. | data_image0
_chemical_formula_structural Y2Mg12Fe2
_chemical_formula_sum "Y2 Mg12 Fe2"
_cell_length_a 5.012848
_cell_length_b 5.929416
_cell_length_c 11.597164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Y2Mg12Fe2Nd
_chemical_formula_sum "Y2 Mg12 Fe2 Nd1"
_cell_length_a 5.012848
_cell_length_b 5.929416
_cell_length_c 11.597164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
AddAtomAction | 03cccd6a-7099-40ea-8ba2-aaeef8b1c60a | mp-758700 | Add one Lr atom at the Cartesian coordinate [0.982 0.672 1.243] to the cif file. | data_image0
_chemical_formula_structural Li6Mn12O24
_chemical_formula_sum "Li6 Mn12 O24"
_cell_length_a 6.634875
_cell_length_b 6.647734319999999
_cell_length_c 11.002615149999999
_cell_angle_alpha 94.0771806
_cell_angle_beta 105.88685995
_cell_angle_gamma 98.5352459800000... | data_image0
_chemical_formula_structural Li6Mn12O24Lr
_chemical_formula_sum "Li6 Mn12 O24 Lr1"
_cell_length_a 6.634875
_cell_length_b 6.647734319999999
_cell_length_c 11.002615149999999
_cell_angle_alpha 94.0771806
_cell_angle_beta 105.88685995
_cell_angle_gamma 98.5352459... |
AddAtomAction | da6bbd6e-282f-4eec-a01a-9133571a1f33 | mp-1573889 | Add one Pd atom at the Cartesian coordinate [4.412 9.924 3.15 ] to the cif file. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197187999999
... | data_image0
_chemical_formula_structural Na8Fe4O12Pd
_chemical_formula_sum "Na8 Fe4 O12 Pd1"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.1219718799... |
AddAtomAction | e9c0f05d-5037-45f2-978a-bbebcc688bb3 | mp-540538 | Add one Na atom at the Cartesian coordinate [1.08 1.293 1.705] to the cif file. | data_image0
_chemical_formula_structural Ga12Fe9
_chemical_formula_sum "Ga12 Fe9"
_cell_length_a 6.32560105
_cell_length_b 6.32560105
_cell_length_c 7.84111013
_cell_angle_alpha 77.2366533
_cell_angle_beta 77.2366533
_cell_angle_gamma 74.59180508
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ga12Fe9Na
_chemical_formula_sum "Ga12 Fe9 Na1"
_cell_length_a 6.32560105
_cell_length_b 6.32560105
_cell_length_c 7.84111013
_cell_angle_alpha 77.2366533
_cell_angle_beta 77.2366533
_cell_angle_gamma 74.59180508
_space_group_name_H... |
AddAtomAction | 3e9c7e86-6116-404f-86ad-df0b77162f34 | mp-1228452 | Add one K atom at the Cartesian coordinate [3.801 1.138 0.398] to the cif file. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18K
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18 K1"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_g... |
AddAtomAction | ea3327c2-84b8-4939-b745-d7cce3b88bc8 | mp-1199527 | Add one Eu atom at the Cartesian coordinate [5.664 6.161 9.839] to the cif file. | data_image0
_chemical_formula_structural Pb4C4N4O24
_chemical_formula_sum "Pb4 C4 N4 O24"
_cell_length_a 8.083615
_cell_length_b 6.208673
_cell_length_c 10.264594690000001
_cell_angle_alpha 75.50864962
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb4C4N4O24Eu
_chemical_formula_sum "Pb4 C4 N4 O24 Eu1"
_cell_length_a 8.083615
_cell_length_b 6.208673
_cell_length_c 10.264594690000001
_cell_angle_alpha 75.50864962
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | 5c41a040-0173-4d2c-9288-a78c0a008bad | mp-1245440 | Add one Sm atom at the Cartesian coordinate [ 3.394 -0.499 6.98 ] to the cif file. | data_image0
_chemical_formula_structural Zr8Ga4N12
_chemical_formula_sum "Zr8 Ga4 N12"
_cell_length_a 6.17836567
_cell_length_b 10.67217817
_cell_length_c 10.34272488
_cell_angle_alpha 89.99999736
_cell_angle_beta 96.26513422
_cell_angle_gamma 149.73154969
_space_group_na... | data_image0
_chemical_formula_structural Zr8Ga4N12Sm
_chemical_formula_sum "Zr8 Ga4 N12 Sm1"
_cell_length_a 6.17836567
_cell_length_b 10.67217817
_cell_length_c 10.34272488
_cell_angle_alpha 89.99999736
_cell_angle_beta 96.26513422
_cell_angle_gamma 149.73154969
_space_gr... |
AddAtomAction | 2718fb9a-6731-4f41-88bc-07ab4e059abe | mp-30366 | Add one Ra atom at the Cartesian coordinate [1.483 5.94 3.677] to the cif file. | data_image0
_chemical_formula_structural Ca12Au4
_chemical_formula_sum "Ca12 Au4"
_cell_length_a 6.80979443
_cell_length_b 7.78140711
_cell_length_c 9.97863126
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ca12Au4Ra
_chemical_formula_sum "Ca12 Au4 Ra1"
_cell_length_a 6.80979443
_cell_length_b 7.78140711
_cell_length_c 9.97863126
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
AddAtomAction | 5aa0e6dc-a99e-44c8-85f2-7f907ed29e1c | mp-1246526 | Add one I atom at the Cartesian coordinate [2.914 3.189 0.479] to the cif file. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr6Ru4N8I
_chemical_formula_sum "Sr6 Ru4 N8 I1"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_gr... |
AddAtomAction | efa496a2-fef9-4f3e-9e3e-dcbb06c20096 | mp-740718 | Add one N atom at the Cartesian coordinate [ 5.493 5.409 16.829] to the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Al8H48N16Cl24N
_chemical_formula_sum "Al8 H48 N17 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | c6118eab-c7a1-4ce1-a45f-1973540cb4fb | mp-1198663 | Add one Hs atom at the Cartesian coordinate [ 0.222 5.038 10.418] to the cif file. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural K8Li4H24N12Hs
_chemical_formula_sum "K8 Li4 H24 N12 Hs1"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 0eee5548-6ce0-47ea-9227-7810aa94e080 | mp-554739 | Add one Ds atom at the Cartesian coordinate [5.972 7.183 9.274] to the cif file. | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural C12I4Cl4O8F24Ds
_chemical_formula_sum "C12 I4 Cl4 O8 F24 Ds1"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | 47c74aab-4d9b-487b-b0d1-55b3c053b3a6 | mp-1112428 | Add one Cl atom at the Cartesian coordinate [8.81 5.992 5.65 ] to the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl7
_chemical_formula_sum "K2 Eu1 Au1 Cl7"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... |
AddAtomAction | 3d1870b1-0b89-4af0-8282-2cf5200fe500 | mp-571242 | Add one Mt atom at the Cartesian coordinate [ 7.31 0.32 11.883] to the cif file. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb8Co4Cl16Mt
_chemical_formula_sum "Rb8 Co4 Cl16 Mt1"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | d49b47a5-53c3-4d36-9781-ad7fa5a46343 | mp-1245133 | Add one Be atom at the Cartesian coordinate [ 1.691 1.654 10.301] to the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural Sn40O40Be
_chemical_formula_sum "Sn40 O40 Be1"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.3249643999... |
AddAtomAction | cb6f4892-1ed1-4283-96db-5fd01f24966e | mp-627575 | Add one Ba atom at the Cartesian coordinate [-2.062 0.612 5.687] to the cif file. | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... | data_image0
_chemical_formula_structural K4Zr6CBr18Ba
_chemical_formula_sum "K4 Zr6 C1 Br18 Ba1"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_s... |
AddAtomAction | 3ebbe416-172e-4c80-b1c7-b109e1ffef6a | mp-695373 | Add one Rh atom at the Cartesian coordinate [0.91 5.646 4.071] to the cif file. | data_image0
_chemical_formula_structural Na4Al11Si13Ag7O48
_chemical_formula_sum "Na4 Al11 Si13 Ag7 O48"
_cell_length_a 12.086726
_cell_length_b 12.455229320000003
_cell_length_c 12.79279253
_cell_angle_alpha 90.17142058
_cell_angle_beta 91.25661537
_cell_angle_gamma 90.04... | data_image0
_chemical_formula_structural Na4Al11Si13Ag7O48Rh
_chemical_formula_sum "Na4 Al11 Si13 Ag7 O48 Rh1"
_cell_length_a 12.086726
_cell_length_b 12.455229320000003
_cell_length_c 12.79279253
_cell_angle_alpha 90.17142058
_cell_angle_beta 91.25661537
_cell_angle_gamma ... |
AddAtomAction | 7de3ce51-aa0e-4d1c-bab8-b140dab3564c | mp-1210947 | Add one As atom at the Cartesian coordinate [8.53 4.348 3.741] to the cif file. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16As
_chemical_formula_sum "Lu2 Ag2 W4 O16 As1"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_s... |
AddAtomAction | e9ffc559-a7e8-4db9-9dc4-c04536a224bd | mp-613620 | Add one Fm atom at the Cartesian coordinate [0.557 2.771 7.412] to the cif file. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24Fm
_chemical_formula_sum "Rh16 O24 Fm1"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name... |
AddAtomAction | a38dcf7c-e923-42d6-84a5-b42f4c9db8ad | mp-22575 | Add one Rf atom at the Cartesian coordinate [ 2.984 2.557 10.235] to the cif file. | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sc12As8Rf
_chemical_formula_sum "Sc12 As8 Rf1"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 751bf91d-5592-4486-8382-61a5f99c6cbf | mp-1216434 | Add one Na atom at the Cartesian coordinate [1.189 2.526 2.407] to the cif file. | data_image0
_chemical_formula_structural Zr8Ti2Pb10O30
_chemical_formula_sum "Zr8 Ti2 Pb10 O30"
_cell_length_a 5.88360107
_cell_length_b 5.95084711
_cell_length_c 24.281719929999998
_cell_angle_alpha 96.61879256
_cell_angle_beta 89.98413505000002
_cell_angle_gamma 119.6220... | data_image0
_chemical_formula_structural Zr8Ti2Pb10O30Na
_chemical_formula_sum "Zr8 Ti2 Pb10 O30 Na1"
_cell_length_a 5.88360107
_cell_length_b 5.95084711
_cell_length_c 24.281719929999998
_cell_angle_alpha 96.61879256
_cell_angle_beta 89.98413505000002
_cell_angle_gamma 11... |
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