material_id stringlengths 4 18 | formula_reduced stringlengths 1 17 | CIF stringlengths 763 1.71k | n_tokens stringclasses 445
values |
|---|---|---|---|
alex<agm003484078> | Sr(Li3Pd)2 | data_[Sr1Li6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3171]
_cell_length_b [4.3171]
_cell_length_c [9.5324]
_... | 441 |
alex<agm004583056> | La6Os(RhBr)2 | data_[La12Os2Rh4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Os 2.2000 1.3000 0.6730
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2815]
_cell_length_b [12... | 474 |
alex<agm003735500> | LiCuPd4 | data_[Li1Cu1Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8028]
_cell_length_b [2.8028]
_cell_length_c [10.9395]
... | 405 |
mp-31491 | Sm(GePd)2 | data_[Sm2Ge4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3238]
_cell_length_b [4.3238]
_cell_length_c [10.1915]
... | 375 |
alex<agm004671602> | Cs3RbGe2Br9 | data_[Cs3Rb1Ge2Br9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.9921]
_cell_length_b [7.... | 505 |
alex<agm005194824> | NaMgGaHg | data_[Na1Mg1Ga1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4791]
_cell_length_b [3.4... | 432 |
alex<agm002337187> | RbErFeSe3 | data_[Rb4Er4Fe4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1316]
_cell_length_b [15... | 471 |
alex<agm004623357> | Pr2Ti(TlS2)3 | data_[Pr4Ti2Tl6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9887]
_cell_length_b [12.0... | 508 |
alex<agm002226750> | SmNiAs | data_[Sm2Ni2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1058]
_cell_length_b [4.1058]
_cell_length_c [7.8834]... | 372 |
mp-1178366 | Dy2SbO2 | data_[Dy4Sb2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8540]
_cell_length_b [3.8540]
_cell_length_c [13.3564]
_c... | 374 |
alex<agm003522911> | Ru2PbO8 | data_[Ru4Pb2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8760]
_cell_length_b [8.3058]
_cell_length_c [5.6243]
_cel... | 440 |
alex<agm002167375> | Ho3Ni2Sn7 | data_[Ho6Ni4Sn14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5866]
_cell_length_b [27.3351]
_cell_length_c [4.5061]
_... | 508 |
alex<agm002368958> | Rb2AsPd | data_[Rb8As4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.0227]
_cell_length_b [10.6798]
_cell_length_c [7.4443]
_c... | 438 |
alex<agm005012181> | TbNd2CdN | data_[Tb1Nd2Cd1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0602]
_cell_length_b [5.0... | 435 |
alex<agm004780016> | LiEr2TlTe4 | data_[Li4Er8Tl4Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4206]
_cell_length_b [14... | 506 |
alex<agm004729357> | K4Sm3ZrS8 | data_[K12Sm9Zr3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sm 1.1700 1.8500 1.2290
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0951]
_cell_length_b [8.095... | 513 |
alex<agm004643683> | LaNd3(ErS3)2 | data_[La2Nd6Er4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9712]
_cell_length_b [12.0... | 508 |
alex<agm002135332> | Sc2AlRh | data_[Sc8Al4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6221]
_cell_length_b [6.6221]
_cell_length_c [6.6221]
_c... | 372 |
alex<agm003716235> | CaZnGa3 | data_[Ca2Zn2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2303]
_cell_length_b [4.2303]
_cell_length_c [11.1417]
_c... | 406 |
mp-34857 | KNO2 | data_[K2N2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.3797]
_cell_length_b [5.7341]
_cell_length_c [4.2749]
_cell_angle... | 371 |
alex<agm001225250> | Sm2ErLu | data_[Sm2Er1Lu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0681]
_cell_length_b [5.0681]
_cell_length_c [4.9397]
_... | 372 |
alex<agm003174418> | ZnCdHg2 | data_[Zn2Cd2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8816]
_cell_length_b [5.7654]
_cell_length_c [8.6603]
_ce... | 371 |
alex<agm004912365> | RbNd(SnCl4)2 | data_[Rb1Nd1Sn2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nd 1.1400 1.8500 1.2765
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5483]
_cell_length_b [6.98... | 535 |
alex<agm003404917> | La2ScSn2 | data_[La8Sc4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1238]
_cell_length_b [18.2567]
_cell_length_c [6.5926]
_c... | 439 |
alex<agm005430049> | SiAu2 | data_[Si4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1106]
_cell_length_b [6.6466]
_cell_length_c [5.0865]
_cell_angle_alpha [90.0000]
_cell_a... | 308 |
alex<agm004526018> | Ba2Ag3SnPb4 | data_[Ba2Ag3Sn1Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.0255]
_cell_length_b [5.... | 537 |
alex<agm003326346> | Cu2Ag7Pd2 | data_[Cu4Ag14Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2703]
_cell_length_b [7.7576]
_cell_length_c [6.8299]
_c... | 442 |
alex<agm001277221> | ZrSbH | data_[Zr1Sb1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.7841]
_cell_length_b [3.7841]
_cell_length_c [3.9974]
_cel... | 371 |
alex<agm004779595> | LaTb2SmS4 | data_[La2Tb4Sm2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.6714]
_cell_length_b [5.6... | 470 |
alex<agm002362915> | Rb2InBiF6 | data_[Rb6In3Bi3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8816]
_cell_length_b [6.8816... | 506 |
alex<agm005021130> | SrCuNiSb2 | data_[Sr2Cu2Ni2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.4859]
_cell_length_b [4.... | 436 |
alex<agm001223445> | TmScCo2 | data_[Tm1Sc1Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5250]
_cell_length_b [4.5250]
_cell_length_c [3.2208]
_... | 371 |
alex<agm004711180> | Sm8Ge3AsSe4 | data_[Sm24Ge9As3Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4243]
_cell_length_b [8... | 513 |
alex<agm005084809> | RbLiHfBr6 | data_[Rb2Li2Hf2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.0485]
_cell_length_b [7... | 440 |
alex<agm004752894> | RbNa(CdBi)2 | data_[Rb1Na1Cd2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0468]
_cell_length_b [5.... | 438 |
alex<agm004568428> | Li2Zn2Rh4C | data_[Li4Zn4Rh8C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5083]
_cell_length_b [5.5... | 437 |
alex<agm002239721> | Lu2SeI2 | data_[Lu6Se3I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1123]
_cell_length_b [4.1123]
_cell_length_c [32.9877]
_cel... | 377 |
alex<agm001617100> | V2NiHPd | data_[V2Ni1H1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7715]
_cell_length_b [3.771... | 434 |
mp-1516433 | Ba2LaNbO6 | data_[Ba8La4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7801]
_cell_length_b [8.7... | 439 |
alex<agm004931698> | Cs2SrGaI6 | data_[Cs4Sr2Ga2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.6368]
_cell_length_b [8.63... | 471 |
alex<agm001353438> | CaLuInAg | data_[Ca4Lu4In4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4050]
_cell_length_b [7.... | 434 |
mp-997163 | MnAuO2 | data_[Mn3Au3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1621]
_cell_length_b [3.1621]
_cell_length_c [18.4631]
_cel... | 376 |
alex<agm003395816> | Pr2NdSi2 | data_[Pr8Nd4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5513]
_cell_length_b [4.4510]
_cell_length_c [10.8505]
_... | 441 |
alex<agm001850269> | KF2 | data_[K2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7359]
_cell_length_b [3.7359]
_cell_length_c [7.6342]
_cell_angle_alpha [90.0000]
_cell_ang... | 309 |
alex<agm004762921> | In4HgBiPb2 | data_[In4Hg1Bi1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7605]
_cell_length_b [3.6... | 503 |
alex<agm001630874> | RbTl2 | data_[Rb8Tl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.8585]
_cell_length_b [9.8585]
_cell_length_c [9.8585]
_cell_angle_alpha [90.0000]
_cell... | 312 |
alex<agm003553534> | LiMg4Cd3 | data_[Li1Mg4Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1611]
_cell_length_b [4.8236]
_cell_length_c [11.3585]
_c... | 538 |
alex<agm004799711> | Tm4TlIn2Ag | data_[Tm12Tl3In6Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2281]
_cell_length_b [5.... | 475 |
alex<agm005051956> | KSiBiS4 | data_[K2Si2Bi2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Si 1.9000 1.1000 0.5400
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5816]
_cell_length_b [6.764... | 501 |
alex<agm004727791> | Er8AsP3S4 | data_[Er24As3P9S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8813]
_cell_length_b [7.881... | 513 |
alex<agm002140980> | Ca3Zn2(CuAs2)2 | data_[Ca3Zn2Cu2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2035]
_cell_length_b [4.... | 508 |
alex<agm003733983> | Ag4PtAu | data_[Ag8Pt2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1644]
_cell_length_b [4.2055]
_cell_length_c [5.7251]
_ce... | 405 |
mp-1188632 | Tm5In3 | data_[Tm10In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.9060]
_cell_length_b [8.9060]
_cell_length_c [6.5731]
_cell_angle_alpha [90.0000]
_c... | 346 |
alex<agm002168628> | NiSn | data_[Ni2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9773]
_cell_length_b [3.9773]
_cell_length_c [5.0987]
_cell_angle_alpha [90.0000]
_ce... | 308 |
alex<agm004829475> | Pr4PS2Cl | data_[Pr4P1S2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1854]
_cell_length_b [4.1189]... | 502 |
alex<agm004509012> | La2SnGe3Rh4 | data_[La2Sn1Ge3Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3379]
_cell_length_b [4.... | 537 |
alex<agm004724357> | K4Pr3SmSe8 | data_[K12Pr9Sm3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7215]
_cell_length_b [8.7... | 513 |
alex<agm002271422> | ErRuF6 | data_[Er3Ru3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5337]
_cell_length_b [5.5337]
_cell_length_c [14.6358]
_cel... | 378 |
alex<agm003402099> | Ce(CrC)2 | data_[Ce8Cr16C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cr 1.6600 1.4000 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.5063]
_cell_length_b [8.5246]
_cell_length_c [8.9155]
_ce... | 379 |
alex<agm003364407> | Li4Cd2Pd5 | data_[Li8Cd4Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4167]
_cell_length_b [5.6156]
_cell_length_c [7.7715]
_c... | 442 |
alex<agm003526821> | Al(BPt4)2 | data_[Al2B4Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6651]
_cell_length_b [4.2163]
_cell_length_c [5.9009]
_ce... | 477 |
alex<agm003373127> | Nd2(ZnNi)5 | data_[Nd2Zn5Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0836]
_cell_length_b [5.2092]
_cell_length_c [8.9190]
_ce... | 506 |
mp-1207201 | TmInCo4 | data_[Tm4In4Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0311]
_cell_length_b [7.0311]
_cell_length_c [7.0311]
_... | 375 |
alex<agm002234947> | Rb2CdInTe4 | data_[Rb4Cd2In2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.8181]
_cell_length_b [8.... | 436 |
alex<agm004852363> | Na2BiSbO4 | data_[Na4Bi2Sb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.5153]
_cell_length_b [6.9... | 501 |
alex<agm003663457> | La(Al3Pd2)2 | data_[La1Al6Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.3165]
_cell_length_b [7.3165]
_cell_length_c [4.1258]
_c... | 443 |
alex<agm003479984> | Ho2ErMg5 | data_[Ho4Er2Mg10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2412]
_cell_length_b [5.2412]
_cell_length_c [15.0196]... | 409 |
alex<agm005033680> | RbBeSbSe3 | data_[Rb2Be2Sb2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Be 1.5700 1.0500 0.5900
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6406]
_cell_length_b [4... | 501 |
alex<agm001151960> | SmEuMg2 | data_[Sm1Eu1Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9807]
_cell_length_b [3.9807]
_cell_length_c [7.9819]
_... | 372 |
alex<agm003460664> | Sr4CdRh2 | data_[Sr12Cd3Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1241]
_cell_length_b [5.1241]
_cell_length_c [29.9852]
_... | 410 |
alex<agm005028680> | KRbTl3Cd | data_[K4Rb4Tl12Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.6084]
_cell_length_b [20.0... | 470 |
alex<agm004583690> | Na2Cr2SnSe6 | data_[Na4Cr4Sn2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5252]
_cell_length_b [11... | 473 |
alex<agm002094300> | LiMgPt | data_[Li1Mg1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3042]
_cell_length_b [4.3042]
_cell_length_c [2.8553]
_ce... | 371 |
alex<agm002335177> | Tb3CuOs2 | data_[Tb3Cu1Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4121]
_cell_length_b [3.4121]
_cell_length_c [10.6930]
... | 407 |
alex<agm002132163> | Sc2Ru | data_[Sc8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3101]
_cell_length_b [11.7163]
_cell_length_c [6.3031]
_cell_angle_alpha [90.0000]
_cel... | 342 |
alex<agm005185758> | NbGaCoOs | data_[Nb2Ga2Co2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1100]
_cell_length_b [4.... | 434 |
alex<agm001974688> | LaTm2Zr | data_[La3Tm6Zr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4523]
_cell_length_b [3.4523]
_cell_length_c [34.2996]
_c... | 376 |
alex<agm004639287> | CaSm3(TmSe3)2 | data_[Ca2Sm6Tm4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0544]
_cell_length_b [12... | 508 |
alex<agm005213250> | CeHoGeTe | data_[Ce3Ho3Ge3Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3011]
_cell_length_b [4.30... | 436 |
alex<agm001397208> | DyLuHgPd | data_[Dy4Lu4Hg4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1619]
_cell_length_b [7.... | 434 |
alex<agm003464530> | Na(Ca2P)2 | data_[Na3Ca12P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5749]
_cell_length_b [4.5749]
_cell_length_c [34.7598]
_ce... | 414 |
alex<agm003412933> | Ca2In3Ni | data_[Ca2In3Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7541]
_cell_length_b [4.7553]
_cell_length_c [8.4514]
_ce... | 471 |
alex<agm001382780> | LiSmTmAl | data_[Li4Sm4Tm4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3113]
_cell_length_b [7.... | 434 |
alex<agm003220650> | Zn3Fe | data_[Zn12Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3257]
_cell_length_b [5.3257]
_cell_length_c [8.7523]
_cell_angle_alpha [90.0000]
_c... | 378 |
alex<agm004919341> | LiCu(NiH2)4 | data_[Li3Cu3Ni12H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1421]
_cell_length_b [5.14... | 576 |
alex<agm005462861> | Fe5Ni | data_[Fe10Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.9070]
_cell_length_b [12.0181]
_cell_length_c [4.0197]
_cell_angle_alpha [90.0000]
_cell... | 377 |
alex<agm004702977> | Cs4Cu(GeBr4)3 | data_[Cs8Cu2Ge6Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [10.9918]
_cell_length_b [... | 480 |
alex<agm003618155> | ErAl2Au | data_[Er4Al8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0534]
_cell_length_b [6.9133]
_cell_length_c [5.6583]
_ce... | 371 |
alex<agm005033535> | CaHoAgSe3 | data_[Ca2Ho2Ag2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ho 1.2300 1.7500 1.0410
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1458]
_cell_length_b [4... | 501 |
alex<agm004929160> | Sr2AlSnAu6 | data_[Sr4Al2Sn2Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.1364]
_cell_length_b [8.... | 503 |
alex<agm004597702> | La6CoRh2Br3 | data_[La12Co2Rh4Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1996]
_cell_length_b [12... | 506 |
alex<agm003617761> | SmAl2Ag | data_[Sm4Al8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9346]
_cell_length_b [19.7096]
_cell_length_c [4.4427]
_c... | 405 |
alex<agm003184580> | YSc2Zn | data_[Y2Sc4Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5810]
_cell_length_b [4.9353]
_cell_length_c [10.7078]
_cel... | 405 |
alex<agm003526059> | Nd8Ga2Ge | data_[Nd16Ga4Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1393]
_cell_length_b [5.0924]
_cell_length_c [6.9228]
_... | 475 |
alex<agm004951605> | NaHo2SbO6 | data_[Na3Ho6Sb3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ho 1.2300 1.7500 1.0410
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6655]
_cell_length_b [5.6655... | 506 |
alex<agm003331312> | Li2(ZnAu)3 | data_[Li8Zn12Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2914]
_cell_length_b [9.3913]
_cell_length_c [13.0908]
... | 445 |
alex<agm001364505> | TbCeInGa | data_[Tb4Ce4In4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4734]
_cell_length_b [7.... | 434 |
alex<agm004670741> | YCu2H8Rh3 | data_[Y3Cu6H24Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7370]
_cell_length_b [5.7370]... | 573 |
alex<agm005132337> | LiZr2Be2Pt5 | data_[Li2Zr4Be4Pt10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.2423]
_cell_length_b [... | 472 |
alex<agm004701973> | Na3Tl3VCl8 | data_[Na9Tl9V3Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2152]
_cell_length_b [8.21... | 476 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.