Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1246966 | LuMgCrS4 | data_[Lu4Mg4Cr4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4319]
_cell_length_b [7.57... |
mp-1114677 | Rb3SbF6 | data_[Rb12Sb4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.7482]
_cell_length_b [9.7482]
_cell_length_c [9.7482]
_c... |
mp-1224996 | Gd8Sb3O8 | data_[Gd16Sb6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.6401]
_cell_length_b [3.8044]
_cell_length_c [15.3507]
_ce... |
mp-637255 | Ti2Sn3 | data_[Ti16Sn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.9921]
_cell_length_b [20.1017]
_cell_length_c [7.0585]
_cell_angle_alpha [90.0000]
_cel... |
mp-1078713 | Tb(SiIr)2 | data_[Tb2Si4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1402]
_cell_length_b [4.1402]
_cell_length_c [9.8721]
_... |
mp-1217070 | Ti2RePt | data_[Ti2Re1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1839]
_cell_length_b [3.1839]
_cell_length_c [6.1293]
_... |
mp-1185211 | LaY3 | data_[La2Y6]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1609]
_cell_length_b [5.1609]
_cell_length_c [10.2384]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1094587 | LiMg2 | data_[Li4Mg8]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0142]
_cell_length_b [3.1516]
_cell_length_c [16.5781]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1219047 | SmYCo17 | data_[Sm3Y3Co51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3428]
_cell_length_b [8.3428]
_cell_length_c [12.1320]
_cel... |
mp-753192 | Yb4Sb2O | data_[Yb8Sb4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
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 [4.6480]
_cell_length_b [4.6480]
_cell_length_c [16.1893]
_c... |
mp-768963 | SrLaCl5 | data_[Sr2La2Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4548]
_cell_length_b [4.2705]
_cell_length_c [13.1412]... |
mp-1520883 | SrSmEuSbO6 | data_[Sr2Sm2Eu2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1549 | TbPt3 | data_[Tb1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1318]
_cell_length_b [4.1318]
_cell_length_c [4.1318]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225663 | DyGaCu | data_[Dy4Ga4Cu4]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0098]
_cell_length_b [4.3750]
_cell_length_c [7.0335]
_c... |
mp-640444 | Tb5NiPb3 | data_[Tb10Ni2Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.2105]
_cell_length_b [9.2105]
_cell_length_c [6.7205... |
mp-1207169 | CaH3Pd | data_[Ca1H3Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7271]
_cell_length_b [3.7271]
_cell_length_c [3.7271]
_cel... |
mp-862842 | LiPm2Pt | data_[Li4Pm8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2406]
_cell_length_b [7.2406]
_cell_length_c [7.2406]
_c... |
mp-1185174 | LaEuAu2 | data_[La4Eu4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5641]
_cell_length_b [7.5641]
_cell_length_c [7.5641]
_c... |
mp-1206446 | Rb3ErF6 | data_[Rb6Er2F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.1316]
_cell_length_b [7.1316]
_cell_length_c [9.5495]
_c... |
mp-23067 | K2PdCl6 | data_[K8Pd4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.9888]
_cell_length_b [9.9888]
_cell_length_c [9.9888]
_ce... |
mp-1295957 | BaCoO3 | data_[Ba16Co8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.9171]
_cell_length_b [5.7213]
_cell_length_c [4.8538]
_cell... |
mp-8945 | YSnF7 | data_[Y2Sn2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.0490]
_cell_length_b [5.7876]
_cell_length_c [8.2726]
_cell_... |
mp-7632 | NiMoP | data_[Ni3Mo3P3]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.8572]
_cell_length_b [5.8572]
_cell_length_c [3.7499]
_cel... |
mp-1798 | CeMg3 | data_[Ce4Mg12]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3861]
_cell_length_b [7.3861]
_cell_length_c [7.3861]
_cell_angle_alpha [90.0000]
_cell... |
mp-1227296 | BiSbPt2 | data_[Bi1Sb1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3159]
_cell_length_b [4.3159]
_cell_length_c [5.6011]
_c... |
mp-1113343 | Rb2LaCuCl6 | data_[Rb8La4Cu4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6436]
_cell_length_b [... |
mp-979044 | Tm2CuAu | data_[Tm8Cu4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9748]
_cell_length_b [6.9748]
_cell_length_c [6.9748]
_c... |
mp-571122 | FeI2 | data_[Fe1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0109]
_cell_length_b [4.0109]
_cell_length_c [7.2901]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1187939 | ZnSnRh2 | data_[Zn4Sn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2832]
_cell_length_b [6.2832]
_cell_length_c [6.2832]
_c... |
mp-31411 | Th(Al2Cr)4 | data_[Th2Al16Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.0168]
_cell_length_b [9.0168]
_cell_length_c [5.0255]
... |
mp-1183791 | DyLuAg2 | data_[Dy4Lu4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2174]
_cell_length_b [7.2174]
_cell_length_c [7.2174]
_c... |
mp-1025372 | Y2Cr2C3 | data_[Y4Cr4C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4597]
_cell_length_b [3.3837]
_cell_length_c [5.5800]
_cell_... |
mp-1028663 | WSeS | data_[W4Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.2543]
_cell_length_b [3.2543]
_cell_length_c [36.8940]
_cell... |
mp-32686 | CoO2 | data_[Co1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.8439]
_cell_length_b [2.8439]
_cell_length_c [4.8309]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1094090 | Ni4N | data_[Ni4N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7151]
_cell_length_b [3.7151]
_cell_length_c [3.7151]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-30491 | MgCd3 | data_[Mg2Cd6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3573]
_cell_length_b [6.3573]
_cell_length_c [5.0422]
_cell_angle_alpha [90.0000]
_ce... |
mp-1215629 | Zn3PBr3 | data_[Zn3P1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7068]
_cell_length_b [4.0638]
_cell_length_c [7.0728]
_cell_a... |
mp-756029 | Zr2N2O | data_[Zr8N8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5294]
_cell_length_b [5.5764]
_cell_length_c [10.3286]
_cell_an... |
mp-554775 | CaCuO2 | data_[Ca4Cu4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12]
_cell_length_a [5.4603]
_cell_length_b [11.1351]
_cell_length_c [3.2029]
... |
mp-867213 | Er2OsPd | data_[Er8Os4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Os 2.2000 1.3000 0.6730
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8424]
_cell_length_b [6.8424]
_cell_length_c [6.8424]
_c... |
mp-1094580 | LiMg | data_[Li3Mg3]
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
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1646]
_cell_length_b [3.1646]
_cell_length_c [15.0294]
_cell_angle_alpha [90.0000]
_cell... |
mp-1208946 | Sr2FeIrO6 | data_[Sr2Fe1Ir1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6133]
_cell_length_b [5.6138... |
mp-1104873 | Tm(Al2Fe)4 | data_[Tm2Al16Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.6720]
_cell_length_b [8.6720]
_cell_length_c [5.0289]
... |
mp-3284 | CeSi2Pt | data_[Ce4Si8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2693]
_cell_length_b [16.6610]
_cell_length_c [4.2470]
_c... |
mp-864959 | Dy2CuOs | data_[Dy8Cu4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8627]
_cell_length_b [6.8627]
_cell_length_c [6.8627]
_c... |
mp-558610 | Sc(ReO3)2 | data_[Sc2Re4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5755]
_cell_length_b [4.8671]
_cell_length_c [5.6655]
_c... |
mp-8896 | Sr2B4Rh5 | data_[Sr8B16Rh20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5903]
_cell_length_b [10.1428]
_cell_length_c [11.3340]
_... |
mp-1078049 | Zn(GaS2)2 | data_[Zn1Ga2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [5.2426]
_cell_length_b [5.2426]
_cell_length_c [5.4555]
_cel... |
mp-30392 | Li2InAu | data_[Li8In4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5505]
_cell_length_b [6.5505]
_cell_length_c [6.5505]
_c... |
mp-27487 | Li2ThN2 | data_[Li2Th1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6992]
_cell_length_b [3.6992]
_cell_length_c [5.5445]
_cel... |
mp-1101381 | SbOF3 | data_[Sb2O2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8064]
_cell_length_b [4.1376]
_cell_length_c [9.0305]
_cell_a... |
mp-27180 | NdSBr | data_[Nd4S4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1029]
_cell_length_b [7.1060]
_cell_length_c [7.0038]
_ce... |
mp-2955 | NaMgF3 | data_[Na4Mg4F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5737]
_cell_length_b [7.7681]
_cell_length_c [5.4247]
_cel... |
mp-1185667 | Na3Ge | data_[Na12Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4259]
_cell_length_b [7.4259]
_cell_length_c [7.4259]
_cell_angle_alpha [90.0000]
_cell... |
mp-975780 | Li2TlSn | data_[Li8Tl4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9364]
_cell_length_b [6.9364]
_cell_length_c [6.9364]
_c... |
mp-1217009 | TiAl2Zn | data_[Ti1Al2Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9737]
_cell_length_b [3.9737]
_cell_length_c [3.8877]
_... |
mp-1205816 | Tb2MgSi2 | data_[Tb4Mg2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2056]
_cell_length_b [7.2056]
_cell_length_c [4.2339]
_... |
mp-18733 | AlTl(MoO4)2 | data_[Al1Tl1Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6431]
_cell_length_b [5.64... |
mp-1025321 | Rb2Cr(BrCl)2 | data_[Rb4Cr2Br4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0819]
_cell_length_b [5... |
mp-16237 | La(SiAg)2 | data_[La2Si4Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3208]
_cell_length_b [4.3208]
_cell_length_c [10.7202]
... |
mp-11711 | Gd(BO2)3 | data_[Gd4B12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8270]
_cell_length_b [8.1492]
_cell_length_c [6.3149]
_cell... |
mp-2529 | PrRh2 | data_[Pr8Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.7055]
_cell_length_b [7.7055]
_cell_length_c [7.7055]
_cell_angle_alpha [90.0000]
_cell... |
mp-769466 | Y2Ge2O7 | data_[Y4Ge4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0581]
_cell_length_b [9.2421]
_cell_length_c [5.0166]
_cell_... |
mp-9208 | V2B3 | data_[V8B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0376]
_cell_length_b [18.3981]
_cell_length_c [2.9782]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1104810 | Sr(GaS2)2 | data_[Sr4Ga8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [6.0558]
_cell_length_b [10.5426]
_cell_length_c [10.6791]
_c... |
mp-865094 | HfNbTc2 | data_[Hf4Nb4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4578]
_cell_length_b [6.4578]
_cell_length_c [6.4578]
_c... |
mp-1212803 | DyTeAs | data_[Dy4Te4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5477]
_cell_length_b [4.0722]
_cell_length_c [9.9509]
_ce... |
mp-27563 | Rb2In4O7 | data_[Rb2In4O7]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.7378]
_cell_length_b [5.7378]
_cell_length_c [7.4615]
_cel... |
mp-3363 | Sc2Ni2Sn | data_[Sc4Ni4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1466]
_cell_length_b [7.1466]
_cell_length_c [3.3536]
_... |
mp-1009490 | O2 | data_[O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.7247]
_cell_length_b [4.7297]
_cell_length_c [4.6260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7117]
_cell_angle_g... |
mp-1025268 | Pu2W2C3 | data_[Pu4W4C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9835]
_cell_length_b [3.2845]
_cell_length_c [5.6979]
_cell_... |
mp-14152 | SmNbO4 | data_[Sm4Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2978]
_cell_length_b [11.3553]
_cell_length_c [5.2164]
_ce... |
mp-1247036 | Mg2Ti3CrS8 | data_[Mg6Ti9Cr3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2442]
_cell_length_b [7.24... |
mp-975639 | Pr3Er | data_[Pr3Er1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1792]
_cell_length_b [5.1792]
_cell_length_c [5.1792]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22895 | CuI | data_[Cu4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0355]
_cell_length_b [6.0355]
_cell_length_c [6.0355]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1276532 | VReO4 | data_[V4Re4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5290]
_cell_length_b [5.7205]
_cell_length_c [4.7941]
_cell_... |
mp-557151 | ZnS | data_[Zn24S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8550]
_cell_length_b [3.8550]
_cell_length_c [75.4653]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1225338 | Dy4Cu5P7 | data_[Dy8Cu10P14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.2766]
_cell_length_b [5.2766]
_cell_length_c [19.2597]
_... |
mp-1205622 | YPRu2C | data_[Y4P4Ru8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7972]
_cell_length_b [11.0738]
... |
mp-1226863 | CaBHO3 | data_[Ca2B2H2O6]
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
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [3.5817]
_cell_length_b [5.4581]
_... |
mp-10714 | TmRh3C | data_[Tm1Rh3C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1623]
_cell_length_b [4.1623]
_cell_length_c [4.1623]
_cel... |
mp-23219 | CuBr2 | data_[Cu2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6918]
_cell_length_b [3.4926]
_cell_length_c [7.0607]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1220323 | NbTc | data_[Nb2Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1976]
_cell_length_b [4.6385]
_cell_length_c [4.4193]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1246164 | Ba3CoN3 | data_[Ba6Co2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.1085]
_cell_length_b [8.1085]
_cell_length_c [5.6325]
_ce... |
mp-1188342 | Tb5Ga3 | data_[Tb20Ga12]
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
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7007]
_cell_length_b [7.7007]
_cell_length_c [14.1512]
_cell_angle_alpha [90.0000]
_c... |
mp-8253 | Na5ReO6 | data_[Na10Re2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7498]
_cell_length_b [9.8416]
_cell_length_c [5.6718]
_ce... |
mp-1185386 | LiGdTl2 | data_[Li4Gd4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3575]
_cell_length_b [7.3575]
_cell_length_c [7.3575]
_c... |
mp-1216392 | VCrO3 | data_[V6Cr6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.0939]
_cell_length_b [5.0939]
_cell_length_c [14.0125]
_cell_... |
mp-1218438 | Sr3Nd(FeO4)2 | data_[Sr6Nd2Fe4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4932]
_cell_length_b [5.47... |
mp-555251 | SiO2 | data_[Si8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [10.2195]
_cell_length_b [8.3078]
_cell_length_c [5.0863]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1514 | UB2 | data_[U1B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.0825]
_cell_length_b [3.0825]
_cell_length_c [4.0186]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1218017 | Ta5S8 | data_[Ta10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [26.1491]
_cell_length_b [3.2701]
_cell_length_c [5.7929]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225662 | Er4SiNi3 | data_[Er4Si1Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8794]
_cell_length_b [4.0167]
_cell_length_c [10.3000]
_c... |
mp-20973 | Ce2S3 | data_[Ce8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4555]
_cell_length_b [4.0395]
_cell_length_c [15.4569]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-28760 | KRbS | data_[K4Rb4S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3550]
_cell_length_b [5.0514]
_cell_length_c [9.5567]
_cell_a... |
mp-867358 | PuCl2 | data_[Pu2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.8369]
_cell_length_b [6.8369]
_cell_length_c [4.0606]
_cell_angle_alpha [90.0000]
_ce... |
mp-1186695 | Pr2TlHg | data_[Pr8Tl4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8263]
_cell_length_b [7.8263]
_cell_length_c [7.8263]
_c... |
mp-23910 | CrHO2 | data_[Cr3H3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.0582]
_cell_length_b [3.0582]
_cell_length_c [13.4923]
_cell_a... |
mp-18773 | WO3 | data_[W4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/ncc]
_cell_length_a [5.4074]
_cell_length_b [5.4074]
_cell_length_c [7.8178]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-636978 | KCuCl3 | data_[K4Cu4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7578]
_cell_length_b [14.3721]
_cell_length_c [9.8310]
_... |
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