Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1207598 | YPd3S4 | data_[Y2Pd6S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [6.7151]
_cell_length_b [6.7151]
_cell_length_c [6.7151]
_cell_... |
mp-1221919 | Mn3B8Mo3 | data_[Mn3B8Mo3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0457]
_cell_length_b [3.1255]
_cell_length_c [13.1882]
_cel... |
mp-862794 | K2Pu2O5 | data_[K2Pu2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pu 1.2800 1.7500 0.9675
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2979]
_cell_length_b [4.2979]
_cell_length_c [8.6596]
_cell... |
mp-1232214 | YSe2 | data_[Y2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0773]
_cell_length_b [4.0773]
_cell_length_c [8.3634]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-34361 | Tl9BiTe6 | data_[Tl18Bi2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.9833]
_cell_length_b [8.9833]
_cell_length_c [13.4939]
... |
mp-23505 | K2TeBr6 | data_[K8Te4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9333]
_cell_length_b [10.9333]
_cell_length_c [10.9333]
... |
mp-30351 | MgAg3 | data_[Mg1Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1704]
_cell_length_b [4.1704]
_cell_length_c [4.1704]
_cell_angle_alpha [90.0000]
_cell_... |
mp-9200 | K3AuO | data_[K3Au1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3188]
_cell_length_b [5.3188]
_cell_length_c [5.3188]
_cell_... |
mp-6015 | LiSiNO | data_[Li4Si4N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [5.2314]
_cell_length_b [6.426... |
mp-556857 | VCdO3 | data_[V4Cd4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.5803]
_cell_length_b [3.6451]
_cell_length_c [5.3289]
_cell... |
mp-1186536 | Pm3Tm | data_[Pm6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1076]
_cell_length_b [5.1076]
_cell_length_c [10.2813]
_cell_angle_alpha [90.0000]
_cel... |
mp-1105940 | Ba(InP)2 | data_[Ba4In8P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.1642]
_cell_length_b [4.2509]
_cell_length_c [13.1418]
_... |
mp-1205605 | TbEu2TaO6 | data_[Tb4Eu8Ta4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Eu 1.2000 1.8500 1.1985
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4277]
_cell_length_b [8.4... |
mp-640159 | V2GaSn2 | data_[V16Ga8Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.6092]
_cell_length_b [18.8632]
_cell_length_c [6.7520]
_c... |
mp-1078003 | DyGa5Co | data_[Dy1Ga5Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2297]
_cell_length_b [4.2297]
_cell_length_c [6.7896]
_... |
mp-1179336 | SnSe | data_[Sn4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9859]
_cell_length_b [4.2993]
_cell_length_c [4.2789]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1217573 | TbAl3Ag | data_[Tb2Al6Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1885]
_cell_length_b [4.1885]
_cell_length_c [11.3103]
_... |
mp-1188013 | Yb3Eu | data_[Yb6Eu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5038]
_cell_length_b [5.5038]
_cell_length_c [10.9796]
_cell_angle_alpha [90.0000]
_cel... |
mp-1103983 | U(CoGe)6 | data_[U1Co6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0956]
_cell_length_b [5.0956]
_cell_length_c [7.8839]
_ce... |
mp-9901 | Sc3Co2Si3 | data_[Sc12Co8Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9261]
_cell_length_b [9.9350]
_cell_length_c [12.8024]
... |
mp-776983 | V6O7F5 | data_[V6O7F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6921]
_cell_length_b [9.3188]
_cell_length_c [4.6988]
_cell_angle... |
mp-571035 | OsCl4 | data_[Os2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.3766]
_cell_length_b [9.0678]
_cell_length_c [3.6294]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-779662 | Zr5Sn3O | data_[Zr10Sn6O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4971]
_cell_length_b [8.4971]
_cell_length_c [5.7939]
... |
mp-1634 | MoSe2 | data_[Mo2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3269]
_cell_length_b [3.3269]
_cell_length_c [15.4514]
_cell_angle_alpha [90.0000]
_c... |
mp-1216726 | Tm2FeGe4 | data_[Tm4Fe2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1343]
_cell_length_b [4.1661]
_cell_length_c [15.3730]
_c... |
mp-1114516 | Rb2TlNiF6 | data_[Rb8Tl4Ni4F24]
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
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9156]
_cell_length_b [8.9... |
mp-1105811 | ScMnO3 | data_[Sc4Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1167]
_cell_length_b [5.4225]
_cell_length_c [9.0991]
_c... |
mp-865959 | LiHo2Ru | data_[Li4Ho8Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9143]
_cell_length_b [6.9143]
_cell_length_c [6.9143]
_c... |
mp-4406 | CaSO4 | data_[Ca4S4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1031]
_cell_length_b [6.2919]
_cell_length_c [7.0941]
_cell_... |
mp-1247557 | Mg2NbN3 | data_[Mg8Nb4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4039]
_cell_length_b [9.3457]
_cell_length_c [5.3973]
_cel... |
mp-1184145 | Dy3Y | data_[Dy6Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2466]
_cell_length_b [7.2466]
_cell_length_c [5.6842]
_cell_angle_alpha [90.0000]
_cell... |
mp-567313 | Te | data_[Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3_221]
_cell_length_a [4.5067]
_cell_length_b [4.5067]
_cell_length_c [5.9621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-1221677 | MnH6(NCl)2 | data_[Mn2H12N4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.2734]
_cell_length_b [8.3072]
... |
mp-4861 | Sr(CuAs)2 | data_[Sr2Cu4As4]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2339]
_cell_length_b [4.2339]
_cell_length_c [10.7747]
... |
mp-1039075 | Mg3Bi | data_[Mg6Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.5635]
_cell_length_b [6.5635]
_cell_length_c [5.3235]
_cell_angle_alpha [90.0000]
_ce... |
mp-1206118 | VCoO3 | data_[V2Co2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9952]
_cell_length_b [5.1158]
_cell_length_c [5.5042]
_cell_an... |
mp-510581 | PrNiSnH2 | data_[Pr2Ni2Sn2H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4113]
_cell_length_b [4... |
mp-902 | BaZn | data_[Ba1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1215]
_cell_length_b [4.1215]
_cell_length_c [4.1215]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1101959 | ZrGeRh | data_[Zr4Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6657]
_cell_length_b [4.0347]
_cell_length_c [7.6340]
_ce... |
mp-1079254 | Co2As | data_[Co6As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.9871]
_cell_length_b [5.9871]
_cell_length_c [3.5392]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1105754 | Er3Ge3Ru2 | data_[Er12Ge12Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2459]
_cell_length_b [10.7527]
_cell_length_c [13.8601]... |
mp-972423 | TbGa2Pd | data_[Tb4Ga8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4618]
_cell_length_b [10.1852]
_cell_length_c [6.6164]
_c... |
mp-1219836 | Pr2Y | data_[Pr6Y3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6677]
_cell_length_b [3.6677]
_cell_length_c [27.1547]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-4297 | U(GePd)2 | data_[U2Ge4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
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 [4.1725]
_cell_length_b [4.1725]
_cell_length_c [10.5985]
_c... |
mp-754849 | LiV4O5F7 | data_[Li1V4O5F7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1844]
_cell_length_b [5.3664]
_ce... |
mp-865937 | KNpAgS3 | data_[K4Np4Ag4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Np 1.3600 1.7500 1.0000
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0967]
_cell_length_b [14.136... |
mp-1224259 | HfTiMo4 | data_[Hf4Ti4Mo16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ti 1.5400 1.4000 0.8517
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5138]
_cell_length_b [7.5138]
_cell_length_c [7.5138]
_... |
mp-865433 | Y2MgRu | data_[Y8Mg4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1323]
_cell_length_b [7.1323]
_cell_length_c [7.1323]
_cel... |
mp-1079534 | EuP3 | data_[Eu4P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9947]
_cell_length_b [7.2384]
_cell_length_c [5.5162]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-10759 | GeSe | data_[Ge4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6657]
_cell_length_b [5.6657]
_cell_length_c [5.6657]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1185305 | LiGePt2 | data_[Li4Ge4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0972]
_cell_length_b [6.0972]
_cell_length_c [6.0972]
_c... |
mp-1186254 | Nd2TlCd | data_[Nd8Tl4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7841]
_cell_length_b [7.7841]
_cell_length_c [7.7841]
_c... |
mp-569501 | LiCaBi | data_[Li4Ca4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8410]
_cell_length_b [4.7290]
_cell_length_c [8.6067]
_ce... |
mp-1213178 | Cu2AgH(SeO5)2 | data_[Cu4Ag2H2Se4O20]
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
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a... |
mp-567196 | Cs3Sb2Cl9 | data_[Cs3Sb2Cl9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [7.8093]
_cell_length_b [7.8093]
_cell_length_c [9.5738]
_ce... |
mp-22763 | CeSnPt | data_[Ce3Sn3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5954]
_cell_length_b [7.5954]
_cell_length_c [4.1743]
_c... |
mp-759877 | Li4CuF7 | data_[Li16Cu4F28]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.3473]
_cell_length_b [8.3473]
_cell_length_c [8.3473]
_c... |
mp-1220110 | Ni(Mo3Se4)2 | data_[Ni1Mo6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7737]
_cell_length_b [6.7896]
_cell_length_c [6.8282]
_cell... |
mp-1105939 | Pr(Ge3Pt)4 | data_[Pr2Ge24Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.7306]
_cell_length_b [8.7306]
_cell_length_c [8.7306]
_c... |
mp-684745 | CsTiNb(O2F)2 | data_[Cs4Ti4Nb4O16F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [... |
mp-1187537 | YbTmPd2 | data_[Yb4Tm4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9247]
_cell_length_b [6.9247]
_cell_length_c [6.9247]
_c... |
mp-1227484 | BaZrTiPbO6 | data_[Ba1Zr1Ti1Pb1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_... |
mp-1112650 | Cs3SmCl6 | data_[Cs12Sm4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sm 1.1700 1.8500 1.2290
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.9768]
_cell_length_b [11.9768]
_cell_length_c [11.976... |
mp-850285 | Ni6OF11 | data_[Ni6O1F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6978]
_cell_length_b [5.6339]
_cell_length_c [7.7891]
_cell_an... |
mp-1105233 | Ba(AsO3)2 | data_[Ba4As8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4796]
_cell_length_b [18.1463]
_cell_length_c [5.0789]
_ce... |
mp-773525 | LiFe3O4 | data_[Li1Fe3O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1763]
_cell_length_b [3.0619]
_cell_length_c [5.2106]
_cell... |
mp-1104461 | TbGa3Ru | data_[Tb3Ga9Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.4646]
_cell_length_b [6.4646]
_cell_length_c [6.4646]
_c... |
mp-11539 | SmAl3Pd2 | data_[Sm1Al3Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4584]
_cell_length_b [5.4584]
_cell_length_c [4.2254]
_... |
mp-1213957 | CaZrTlF7 | data_[Ca4Zr4Tl4F28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.0075]
_cell_length_b [11.3... |
mp-546672 | LaBi2IO4 | data_[La1Bi2I1O4]
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
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0374]
_cell_length_b [4.037... |
mp-1215323 | ZrCrFe | data_[Zr8Cr8Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0948]
_cell_length_b [4.9880]
_cell_length_c [8.7466]
_ce... |
mp-1104050 | Y(AlC)3 | data_[Y2Al6C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4391]
_cell_length_b [3.4391]
_cell_length_c [17.3443]
_c... |
mp-1025415 | CePd7 | data_[Ce4Pd28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1088]
_cell_length_b [8.1088]
_cell_length_c [8.1088]
_cell_angle_alpha [90.0000]
_cell... |
mp-1215642 | Zn2SiGeN4 | data_[Zn4Si2Ge2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.4014]
_cell_length_b [5.153... |
mp-1038828 | CaZn | data_[Ca2Zn2]
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
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.2263]
_cell_length_b [3.6728]
_cell_length_c [5.2392]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1215505 | ZnCdO2 | data_[Zn1Cd1O2]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4464]
_cell_length_b [3.4464]
_cell_length_c [5.7053]
_cell... |
mp-1213996 | Ca5(BN2)3 | data_[Ca10B6N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.3955]
_cell_length_b [7.3955]
_cell_length_c [7.3955]
_cel... |
mp-1078726 | CsHoS2 | data_[Cs2Ho2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0905]
_cell_length_b [4.0905]
_cell_length_c [16.0767]
... |
mp-548231 | FeBiO3 | data_[Fe6Bi6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5621]
_cell_length_b [5.5621]
_cell_length_c [13.7851]
_cell... |
mp-8672 | La2PdO4 | data_[La4Pd2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0969]
_cell_length_b [4.0969]
_cell_length_c [12.6327]
_c... |
mp-1208991 | Sc3V2Si3 | data_[Sc6V4Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.6498]
_cell_length_b [7.6498]
_cell_length_c [5.1756]
_... |
mp-1275809 | LiFeWClO4 | data_[Li2Fe2W2Cl2O8]
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
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5... |
mp-979911 | Y2Au | data_[Y8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1823]
_cell_length_b [4.9828]
_cell_length_c [8.9995]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1219850 | Pr2NiGe4 | data_[Pr4Ni2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1366]
_cell_length_b [4.2014]
_cell_length_c [16.8379]
_c... |
mp-13305 | SmSnAu | data_[Sm4Sn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8375]
_cell_length_b [6.8375]
_cell_length_c [6.8375]
_c... |
mp-998413 | CsSeBr3 | data_[Cs2Se2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0466]
_cell_length_b [9.3219]
_cell_length_c [7.6841]
_... |
mp-972408 | UBiTe | data_[U2Bi2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4242]
_cell_length_b [4.4242]
_cell_length_c [9.1445]
_ce... |
mp-13363 | SiPt3 | data_[Si4Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7656]
_cell_length_b [7.9094]
_cell_length_c [5.4461]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865983 | TmCdHg2 | data_[Tm4Cd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1978]
_cell_length_b [7.1978]
_cell_length_c [7.1978]
_c... |
mp-1220393 | NbCrGa | data_[Nb8Cr8Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0018]
_cell_length_b [5.0043]
_cell_length_c [8.9447]
_ce... |
mp-1211665 | K3LuF6 | data_[K6Lu2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Lu 1.2700 1.7500 1.0010
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3438]
_cell_length_b [6.5603]
_cell_length_c [11.0632]
_ce... |
mp-674493 | In2NiS4 | data_[In8Ni4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4061]
_cell_length_b [7.6034]
_cell_length_c [10.4862]
_ce... |
mp-1206873 | Cs2NaTbF6 | data_[Cs8Na4Tb4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1947]
_cell_length_b [9.1... |
mp-1180721 | Li4CO4 | data_[Li8C2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7176]
_cell_length_b [7.7169]
_cell_length_c [3.1833]
_cell_ang... |
mp-1103225 | Pr2Al | data_[Pr8Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8202]
_cell_length_b [5.3108]
_cell_length_c [9.9252]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1227322 | Bi2PdPt | data_[Bi2Pd1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3680]
_cell_length_b [4.3680]
_cell_length_c [5.6678]
_c... |
mp-558828 | K3Nb3(BO6)2 | data_[K3Nb3B2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.9168]
_cell_length_b [8.9168]
... |
mp-4954 | La(SiPd)2 | data_[La2Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3060]
_cell_length_b [4.3060]
_cell_length_c [9.9818]
_... |
mp-1105662 | SmGe2Ir | data_[Sm8Ge16Ir8]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3491]
_cell_length_b [8.9934]
_cell_length_c [16.2485]
_... |
mp-861900 | LiGaAu2 | data_[Li4Ga4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3657]
_cell_length_b [6.3657]
_cell_length_c [6.3657]
_c... |
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