material_id stringlengths 4 18 | formula_reduced stringlengths 1 17 | CIF stringlengths 763 1.71k | n_tokens stringclasses 445
values |
|---|---|---|---|
alex<agm002128827> | Ag2S | data_[Ag8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [8.3733]
_cell_length_b [4.2380]
_cell_length_c [8.0573]
_cell_angle_alpha [90.0000]
_cell_ang... | 341 |
alex<agm004607818> | LaDy3(HoSe3)2 | data_[La2Dy6Ho4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1286]
_cell_length_b [12... | 508 |
alex<agm004774604> | KAg2SbTe4 | data_[K2Ag4Sb2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I222]
_cell_length_a [7.4886]
_cell_length_b [8.290... | 435 |
alex<agm003754421> | ZrTaO4 | data_[Zr4Ta4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.9578]
_cell_length_b [6.9578]
_cell_length_c [6.3015]
_c... | 407 |
alex<agm003388595> | K(GaAu)2 | data_[K2Ga4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.7613]
_cell_length_b [4.7613]
_cell_length_c [10.1699]
_c... | 441 |
alex<agm001180270> | Na4SrCa | data_[Na16Sr4Ca4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.8803]
_cell_length_b [9.8803]
_cell_length_c [9.8803]
_... | 375 |
alex<agm005187880> | TbSmMgHg | data_[Tb1Sm1Mg1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8162]
_cell_length_b [3.8... | 433 |
alex<agm003006231> | Ba2HgP2 | data_[Ba4Hg2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hg 2.0000 1.5000 1.2450
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.3326]
_cell_length_b [8.3326]
_cell_length_c [4.4058]
_ce... | 373 |
alex<agm003327727> | Zr3Ti2Bi3 | data_[Zr12Ti8Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8643]
_cell_length_b [14.4185]
_cell_length_c [13.8969]... | 445 |
alex<agm004645130> | Na3Zr2MnTe6 | data_[Na6Zr4Mn2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2401]
_cell_length_b [12... | 506 |
mp-1223962 | Ho4MgS7 | data_[Ho8Mg2S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5729]
_cell_length_b [3.7936]
_cell_length_c [11.4562]
_cel... | 675 |
alex<agm002141363> | Ca(GaGe)2 | data_[Ca1Ga2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2455]
_cell_length_b [4.2455]
_cell_length_c [7.1484]
_c... | 375 |
alex<agm002915957> | Cs(CdSb)2 | data_[Cs2Cd4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6154]
_cell_length_b [4.6154]
_cell_length_c [16.7406]
... | 375 |
alex<agm002300500> | Zr3InO | data_[Zr3In1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5287]
_cell_length_b [4.5287]
_cell_length_c [4.5287]
_cel... | 371 |
alex<agm003596519> | Li(MgCd)4 | data_[Li2Mg8Cd8]
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 [I4/mmm]
_cell_length_a [9.2842]
_cell_length_b [9.2842]
_cell_length_c [4.4762]
_... | 374 |
alex<agm004792154> | YTm(ScCd2)2 | data_[Y3Tm3Sc6Cd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1506]
_cell_length_b [5.15... | 477 |
alex<agm004650671> | Pr2Sm3Dy6Tl | data_[Pr4Sm6Dy12Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1638]
_cell_length_b [10... | 506 |
alex<agm005133721> | Ca2Si2HgRh5 | data_[Ca4Si4Hg2Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.0959]
_cell_length_b ... | 474 |
alex<agm001209988> | Tm2InPb | data_[Tm2In1Pb1]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9361]
_cell_length_b [4.9361]
_cell_length_c [4.3803]
_... | 372 |
alex<agm004610249> | Ce6As2PS3 | data_[Ce12As4P2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
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 [C2/m]
_cell_length_a [17.8524]
_cell_length_b [4.106... | 539 |
mp-1209548 | Rb(RuO2)4 | data_[Rb2Ru8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0933]
_cell_length_b [10.0933]
_cell_length_c [3.1893]
_c... | 411 |
alex<agm004928231> | Cs2KLaF6 | data_[Cs4K2La2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
La 1.1000 1.9500 1.1720
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9239]
_cell_length_b [6.95... | 505 |
alex<agm003616119> | NdErS2 | data_[Nd3Er3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [R-3m]
_cell_length_a [3.9151]
_cell_length_b [3.9151]
_cell_length_c [20.0052]
_cel... | 376 |
alex<agm003331152> | Sc3Zn2Ga3 | data_[Sc12Zn8Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2059]
_cell_length_b [10.2222]
_cell_length_c [13.7910]... | 445 |
alex<agm001154301> | LaSmIn2 | data_[La1Sm1In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8891]
_cell_length_b [3.8891]
_cell_length_c [7.8006]
_... | 372 |
alex<agm001046040> | KNaLi | data_[K2Na2Li2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6993]
_cell_length_b [5.7960]
_cell_length_c [10.9447]
_cell... | 371 |
alex<agm001278910> | SbSCl | data_[Sb1S1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9379]
_cell_length_b [3.9379]
_cell_length_c [6.8683]
_cell... | 371 |
alex<agm003542938> | Cs3GaSe3 | data_[Cs12Ga4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6620]
_cell_length_b [14.4523]
_cell_length_c [8.5547]
... | 478 |
alex<agm003597072> | La4DyHo4 | data_[La8Dy2Ho8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.8597]
_cell_length_b [10.8597]
_cell_length_c [5.1344]... | 375 |
mp-1247749 | CsSnBr3 | data_[Cs4Sn4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3440]
_cell_length_b [11.7846]
_cell_length_c [8.2181]
_... | 407 |
mp-645435 | Cu3Sn4PbO12 | data_[Cu6Sn8Pb2O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.8105]
_cell_length_b [7.81... | 441 |
mp-754221 | LiFe2F5 | data_[Li4Fe8F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9713]
_cell_length_b [10.4064]
_cell_length_c [10.3909]
_c... | 442 |
alex<agm004721931> | Li4HoEr3Se8 | data_[Li12Ho3Er9Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0809]
_cell_length_b [8... | 513 |
alex<agm003261693> | KSe3 | data_[K4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.2965]
_cell_length_b [5.6493]
_cell_length_c [7.9872]
_cell_angle_alpha [90.0000]
_cell_ang... | 376 |
alex<agm003170388> | ZrCd2Au | data_[Zr2Cd4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5858]
_cell_length_b [3.0087]
_cell_length_c [12.1376]
_c... | 405 |
alex<agm003195780> | As2Br | data_[As8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7259]
_cell_length_b [3.6872]
_cell_length_c [9.5139]
_cell_angle_alpha [90.0000]
_cell_... | 343 |
alex<agm004534300> | Ce2AlGa3Rh4 | data_[Ce2Al1Ga3Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2791]
_cell_length_b [4.... | 537 |
alex<agm003413300> | Nd2AlZn3 | data_[Nd16Al8Zn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.5733]
_cell_length_b [9.1183]
_cell_length_c [15.6443]
... | 445 |
alex<agm002251700> | LaAl4Ir | data_[La4Al16Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2740]
_cell_length_b [16.3280]
_cell_length_c [6.7381]
_... | 440 |
alex<agm002240099> | SrCu3Si2 | data_[Sr2Cu6Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0389]
_cell_length_b [4.0389]
_cell_length_c [14.6324... | 408 |
alex<agm004979972> | CsZn2AgI6 | data_[Cs4Zn8Ag4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0834]
_cell_length_b [17.... | 506 |
alex<agm004817425> | La2YHfAs4 | data_[La2Y1Hf1As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Hf 1.3000 1.5500 0.8500
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1979]
_cell_length_b [4.150... | 502 |
alex<agm002221273> | CeMgSn | data_[Ce4Mg4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9680]
_cell_length_b [4.9680]
_cell_length_c [15.1172... | 406 |
alex<agm004686775> | K3CeY3Te8 | data_[K9Ce3Y9Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9388]
_cell_length_b [8.9388... | 476 |
alex<agm003387936> | Nd(ErCd)2 | data_[Nd4Er8Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7219]
_cell_length_b [27.6427]
_cell_length_c [5.4189]
_c... | 440 |
alex<agm003179640> | Tl2HgSb | data_[Tl2Hg1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.3263]
_cell_length_b [4.5237]
_cell_length_c [8.3958]
_ce... | 371 |
alex<agm004859125> | NaLa2InSe4 | data_[Na1La2In1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6229]
_cell_length_b [4.4... | 502 |
alex<agm004839170> | La2CeTmAs4 | data_[La2Ce1Tm1As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5891]
_cell_length_b [4.3... | 502 |
alex<agm004524608> | Rb2CdBi4Pb3 | data_[Rb2Cd1Bi4Pb3]
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
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.3905]
_cell_length_b [5.... | 537 |
alex<agm003425009> | RbLi3O2 | data_[Rb4Li12O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9992]
_cell_length_b [3.3951]
_cell_length_c [7.9523]
_ce... | 475 |
alex<agm001195636> | Eu2InAg | data_[Eu2In1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5651]
_cell_length_b [5.5651]
_cell_length_c [3.8660]
_... | 372 |
alex<agm001138996> | Tm2ZnPd | data_[Tm2Zn1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5078]
_cell_length_b [3.5078]
_cell_length_c [6.9051]
_... | 371 |
alex<agm005048873> | RbTiBiO4 | data_[Rb2Ti2Bi2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3594]
_cell_length_b [6.1... | 501 |
alex<agm001233685> | CeLu2Zr | data_[Ce1Lu2Zr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Lu 1.2700 1.7500 1.0010
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7452]
_cell_length_b [4.7452]
_cell_length_c [4.8990]
_... | 372 |
alex<agm004742564> | SmMg(NiGe)2 | data_[Sm1Mg1Ni2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1736]
_cell_length_b [4.... | 438 |
alex<agm002779603> | CoBiS2 | data_[Co3Bi3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4341]
_cell_length_b [3.4341]
_cell_length_c [23.7801]
_cel... | 376 |
alex<agm004975070> | MgBe(SiO3)2 | data_[Mg4Be4Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6054]
_cell_length_b [9.22... | 506 |
alex<agm003346514> | Rb2Tl5Au3 | data_[Rb8Tl20Au12]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.1735]
_cell_length_b [15.8489]
_cell_length_c [7.4970]... | 479 |
alex<agm002213321> | CeGa5Rh | data_[Ce1Ga5Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3855]
_cell_length_b [4.3855]
_cell_length_c [6.9233]
_... | 405 |
alex<agm004627637> | Ba6IrPt2Cl3 | data_[Ba12Ir2Pt4Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8489]
_cell_length_b [13... | 506 |
alex<agm004946955> | KBe2TlI6 | data_[K4Be8Tl4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Be 1.5700 1.0500 0.5900
Tl 1.6200 1.9000 1.3325
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2081]
_cell_length_b [13.249... | 507 |
alex<agm001362308> | MgScGaHg | data_[Mg4Sc4Ga4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8798]
_cell_length_b [6.... | 434 |
alex<agm002983790> | Tl2HgI2 | data_[Tl4Hg2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.4454]
_cell_length_b [9.4454]
_cell_length_c [4.5838]
_ce... | 373 |
alex<agm003485646> | K2HfF6 | data_[K4Hf2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.6207]
_cell_length_b [5.6207]
_cell_length_c [11.4003]
_... | 409 |
alex<agm003597876> | LaBiPb | data_[La4Bi4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7142]
_cell_length_b [17.4466]
_cell_length_c [4.6666]
_c... | 371 |
alex<agm003612403> | MgCd2Pd | data_[Mg2Cd4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1855]
_cell_length_b [4.1855]
_cell_length_c [8.5711]
_c... | 405 |
alex<agm003731508> | MnAgBr3 | data_[Mn8Ag8Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7648]
_cell_length_b [12.8381]
_cell_length_c [7.1322]
... | 476 |
alex<agm001229890> | V2RuW | data_[V2Ru1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ru 2.2000 1.3000 0.6610
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3259]
_cell_length_b [4.3259]
_cell_length_c [3.0279]
_cell... | 371 |
alex<agm005190060> | PrNdCoOs | data_[Pr3Nd3Co3Os3]
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
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1312]
_cell_length_b [4.13... | 436 |
alex<agm004810476> | La4Ge2SeCl | data_[La8Ge4Se2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.1476]
_cell_length_b [6... | 470 |
alex<agm005205844> | TbNdPdPt | data_[Tb2Nd2Pd2Pt2]
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
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5711]
_cell_length_b [3.7... | 434 |
alex<agm003629325> | Ho2CuSb | data_[Ho4Cu2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0104]
_cell_length_b [4.1299]
_cell_length_c [8.3256]
_... | 405 |
mp-862377 | LiBe2Ir | data_[Li4Be8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4965]
_cell_length_b [5.4965]
_cell_length_c [5.4965]
_c... | 372 |
alex<agm001136646> | Tb2TlGa | data_[Tb2Tl1Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6378]
_cell_length_b [3.6378]
_cell_length_c [7.7397]
_... | 372 |
alex<agm002230219> | Ba2DyPdO6 | data_[Ba8Dy4Pd4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4488]
_cell_length_b [8.4... | 439 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.