Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1264781 | Ca2AlCuO5 | data_[Ca8Al4Cu4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [14.7035]
_cell_length_b [5.6... |
mp-610917 | O2 | data_[O6]
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 [R-3m]
_cell_length_a [3.3464]
_cell_length_b [3.3464]
_cell_length_c [11.2056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
mp-1183904 | Eu2AgPt | data_[Eu8Ag4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4012]
_cell_length_b [7.4012]
_cell_length_c [7.4012]
_c... |
mp-1186267 | Nd3Er | data_[Nd6Er2]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3432]
_cell_length_b [7.3432]
_cell_length_c [5.9621]
_cell_angle_alpha [90.0000]
_ce... |
mp-1018738 | LaAl2BRu2 | data_[La1Al2B1Ru2]
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
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2293]
_cell_length_b [4.2... |
mp-1077950 | Tl2Pd3S2 | data_[Tl6Pd9S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9828]
_cell_length_b [5.9828]
_cell_length_c [14.1497]
_cel... |
mp-1102059 | Zr2GaFe3 | data_[Zr4Ga2Fe6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0321]
_cell_length_b [5.0321]
_cell_length_c [8.2109]... |
mp-1183826 | DyLuCd2 | data_[Dy4Lu4Cd8]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4280]
_cell_length_b [7.4280]
_cell_length_c [7.4280]
_c... |
mp-1187755 | UAl3 | data_[U2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.1775]
_cell_length_b [6.1775]
_cell_length_c [4.6455]
_cell_angle_alpha [90.0000]
_cell... |
mp-1136 | Na3As | data_[Na6As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0982]
_cell_length_b [5.0982]
_cell_length_c [9.0762]
_cell_angle_alpha [90.0000]
_ce... |
mp-504778 | NaMoF6 | data_[Na4Mo4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4853]
_cell_length_b [8.4853]
_cell_length_c [8.4853]
_ce... |
mp-1187653 | YbCd3 | data_[Yb2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.6023]
_cell_length_b [6.6023]
_cell_length_c [5.1774]
_cell_angle_alpha [90.0000]
_ce... |
mp-1205946 | BaTmFeCuO5 | data_[Ba1Tm1Fe1Cu1O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_... |
mp-8680 | Ce(BIr)2 | data_[Ce8B16Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.0410]
_cell_length_b [9.3844]
_cell_length_c [10.6679]
_c... |
mp-3019 | Tl4SnTe3 | data_[Tl16Sn4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.9408]
_cell_length_b [8.9408]
_cell_length_c [13.3639... |
mp-27517 | Rb2CoI4 | data_[Rb4Co2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Co 1.8800 1.3500 0.7683
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8230]
_cell_length_b [8.2601]
_cell_length_c [10.5511]
_c... |
mp-1215830 | YVFe11H | data_[Y2V2Fe22H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7166]
_cell_length_b [8.4515]
... |
mp-675396 | Sm3Eu3S8 | data_[Sm6Eu6S16]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.0820]
_cell_length_b [8.5840]
_cell_length_c [8.5725]
_cell... |
mp-1206931 | Cr(BMo)2 | data_[Cr2B4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.8428]
_cell_length_b [5.8428]
_cell_length_c [3.1269]
_ce... |
mp-1205919 | TmMgPd | data_[Tm3Mg3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4525]
_cell_length_b [7.4525]
_cell_length_c [3.9760]
_c... |
mp-1213881 | Ce3HfSb5 | data_[Ce6Hf2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Hf 1.3000 1.5500 0.8500
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.4492]
_cell_length_b [9.4492]
_cell_length_c [6.3141... |
mp-1205615 | La2Co2I | data_[La4Co4I2]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0574]
_cell_length_b [4.0574]
_cell_length_c [17.9666]
... |
mp-2563 | CeSe | data_[Ce4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9261]
_cell_length_b [5.9261]
_cell_length_c [5.9261]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186640 | PmSm3 | data_[Pm1Sm3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1449]
_cell_length_b [5.1449]
_cell_length_c [5.1449]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1112975 | Cs3ErCl6 | data_[Cs12Er4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Er 1.2400 1.7500 1.0300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.8074]
_cell_length_b [11.8074]
_cell_length_c [11.807... |
mp-772030 | LiTiO2 | data_[Li8Ti8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8476]
_cell_length_b [8.3938]
_cell_length_c [5.8821]
_cel... |
mp-1113721 | Rb2PrAgI6 | data_[Rb8Pr4Ag4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.3280]
_cell_length_b [12... |
mp-13308 | HoGeAu | data_[Ho4Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5207]
_cell_length_b [6.5207]
_cell_length_c [6.5207]
_c... |
mp-41219 | BaLiPrTeO6 | data_[Ba4Li4Pr4Te4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-9771 | UTi2O6 | data_[U2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9988]
_cell_length_b [3.7670]
_cell_length_c [6.9120]
_cell_... |
mp-9794 | Rb2GeSe3 | data_[Rb8Ge4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3465]
_cell_length_b [7.2613]
_cell_length_c [10.3697]
... |
mp-1102833 | SbOsS | data_[Sb4Os4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Os 2.2000 1.3000 0.6730
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2840]
_cell_length_b [6.1945]
_cell_length_c [6.2873]
_ce... |
mp-16335 | Ti3FeS6 | data_[Ti6Fe2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.9356]
_cell_length_b [5.9356]
_cell_length_c [11.5941]
_c... |
mp-1216690 | TiWC2 | data_[Ti3W3C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0688]
_cell_length_b [3.0688]
_cell_length_c [15.1665]
_cell_... |
mp-754869 | Sr(IO3)2 | data_[Sr2I4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.1967]
_cell_length_b [5.4476]
_cell_length_c [10.6079]
_cell... |
mp-774256 | Na2MnO2 | data_[Na8Mn4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.8308]
_cell_length_b [8.9189]
_cell_length_c [5.5994]
_cell... |
mp-752607 | LiVF3 | data_[Li6V6F18]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3549]
_cell_length_b [5.3549]
_cell_length_c [14.2849]
_cell_... |
mp-5862 | CrCuS2 | data_[Cr3Cu3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5230]
_cell_length_b [3.5230]
_cell_length_c [18.3603]
_cell... |
mp-1188141 | RbAu(IO3)4 | data_[Rb2Au2I8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.9210]
_cell_length_b [5.7384]... |
mp-1078756 | ZrGaRh | data_[Zr3Ga3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3257]
_cell_length_b [7.3257]
_cell_length_c [3.3411]
_c... |
mp-1225876 | DyMn2(Cr2Ge3)2 | data_[Dy2Mn4Cr8Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.1384]
_cell_length_b [8.... |
mp-861479 | PrYMg2 | data_[Pr4Y4Mg8]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7078]
_cell_length_b [7.7078]
_cell_length_c [7.7078]
_cel... |
mp-754329 | CdSnO3 | data_[Cd6Sn6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5532]
_cell_length_b [5.5532]
_cell_length_c [15.2938]
_cel... |
mp-435 | ThSn3 | data_[Th1Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7662]
_cell_length_b [4.7662]
_cell_length_c [4.7662]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1226331 | Cr4FeCu(SeS)4 | data_[Cr16Fe4Cu4Se16S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_len... |
mp-982596 | TbSc | data_[Tb1Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4958]
_cell_length_b [3.4958]
_cell_length_c [5.4040]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753432 | LiMnFeO4 | data_[Li4Mn4Fe4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8775]
_cell_length_b [5.96... |
mp-5454 | Er3(CuSi)4 | data_[Er6Cu8Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1123]
_cell_length_b [6.5132]
_cell_length_c [13.5924]
_c... |
mp-998569 | InGeCl3 | data_[In6Ge6Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [7.8893]
_cell_length_b [7.8893]
_cell_length_c [19.0938]
_c... |
mp-1217343 | ThU4O10 | data_[Th2U8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8630]
_cell_length_b [3.8630]
_cell_length_c [27.3555]
_ce... |
mp-1219478 | SbAsRh | data_[Sb4As4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4231]
_cell_length_b [6.4024]
_cell_length_c [6.4966]
_... |
mp-1080679 | LiTaF6 | data_[Li3Ta3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4671]
_cell_length_b [5.4671]
_cell_length_c [13.7732]
_cel... |
mp-1222426 | LiCNO | data_[Li3C3N3O3]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2880]
_cell_length_b [3.2880]
_c... |
mp-36069 | Co2TcO4 | data_[Co8Tc4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7536]
_cell_length_b [6.1748]
_cell_length_c [8.8778]
_cel... |
mp-1223940 | Ho9Er3(MnBi2)2 | data_[Ho9Er3Mn2Bi4]
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
Mn 1.5500 1.4000 0.8775
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.2411]
_cell_length_b [4.281... |
mp-1188649 | Tb5Ir3 | data_[Tb10Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.3469]
_cell_length_b [8.3469]
_cell_length_c [6.2812]
_cell_angle_alpha [90.0000]
_c... |
mp-1183145 | AcPdO3 | data_[Ac1Pd1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0924]
_cell_length_b [4.0924]
_cell_length_c [4.0924]
_cel... |
mp-544 | Ti3Ir | data_[Ti6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.0167]
_cell_length_b [5.0167]
_cell_length_c [5.0167]
_cell_angle_alpha [90.0000]
_cell_... |
mp-510173 | PuGa4 | data_[Pu4Ga16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.3143]
_cell_length_b [6.1201]
_cell_length_c [13.9570]
_cell_angle_alpha [90.0000]
_cell... |
mp-19981 | Gd | data_[Gd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6127]
_cell_length_b [3.6127]
_cell_length_c [11.6442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
mp-1105272 | Sr2ZnWO6 | data_[Sr4Zn2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7365]
_cell_length_b [5.67... |
mp-1187885 | Yb2CdGa | data_[Yb8Cd4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3960]
_cell_length_b [7.3960]
_cell_length_c [7.3960]
_c... |
mp-28736 | Pr4RuI5 | data_[Pr8Ru2I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ru 2.2000 1.3000 0.6610
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8051]
_cell_length_b [4.3254]
_cell_length_c [9.3959]
_ce... |
mp-1219003 | Sn2SeS2 | data_[Sn8Se4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1779]
_cell_length_b [3.8924]
_cell_length_c [14.5210]
_cel... |
mp-1187825 | Yb5Mg | data_[Yb10Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.0878]
_cell_length_b [3.7936]
_cell_length_c [19.2450]
_cell_angle_alpha [90.0000]
_cell... |
mp-1179704 | Sb2Se3 | data_[Sb8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.0502]
_cell_length_b [3.9642]
_cell_length_c [14.3109]
_cell_angle_alpha [90.0000]
_cel... |
mp-21350 | Pr2MgGe2 | data_[Pr4Mg2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5323]
_cell_length_b [7.5323]
_cell_length_c [4.4397]
_... |
mp-1025355 | ZrGa5Co | data_[Zr1Ga5Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
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 [4.1317]
_cell_length_b [4.1317]
_cell_length_c [6.7007]
_... |
mp-765413 | Li2AgF6 | data_[Li4Ag2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7827]
_cell_length_b [4.7827]
_cell_length_c [9.3171]
... |
mp-1224786 | GaSbO4 | data_[Ga2Sb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.4577]
_cell_length_b [6.7292]
_cell_length_c [3.1009]
_cell... |
mp-20628 | NaIn | data_[Na8In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.4578]
_cell_length_b [7.4578]
_cell_length_c [7.4578]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187340 | TbLuIn2 | data_[Tb4Lu4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4721]
_cell_length_b [7.4721]
_cell_length_c [7.4721]
_c... |
mp-1217868 | Tb(Fe3Mo)3 | data_[Tb2Fe18Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7875]
_cell_length_b [8.5375]
_cell_length_c [8.6352]
_c... |
mp-1177943 | Li2FeO2 | data_[Li4Fe2O4]
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 [C2/m]
_cell_length_a [5.3352]
_cell_length_b [3.3193]
_cell_length_c [5.2622]
_cell... |
mp-22897 | HgCl | data_[Hg4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7462]
_cell_length_b [4.7462]
_cell_length_c [11.1245]
_cell_angle_alpha [90.0000]
_cel... |
mp-1226725 | CdSnAs2 | data_[Cd1Sn1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3585]
_cell_length_b [4.3585]
_cell_length_c [6.1925]
_c... |
mp-756414 | Li2Cr3CoO8 | data_[Li6Cr9Co3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9716]
_cell_length_b [5.97... |
mp-4537 | Ce(SiNi)2 | data_[Ce2Si4Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0322]
_cell_length_b [4.0322]
_cell_length_c [9.5526]
_... |
mp-1189998 | Gd2C3 | data_[Gd16C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.3520]
_cell_length_b [8.3520]
_cell_length_c [8.3520]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1216005 | YAgSn2 | data_[Y1Ag1Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6532]
_cell_length_b [4.6532]
_cell_length_c [4.4317]
_ce... |
mp-862990 | Pm2AgSn | data_[Pm8Ag4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5956]
_cell_length_b [7.5956]
_cell_length_c [7.5956]
_c... |
mp-1103359 | CoTe2 | data_[Co4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.3124]
_cell_length_b [6.3124]
_cell_length_c [6.3124]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1092 | HoHg | data_[Ho1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7136]
_cell_length_b [3.7136]
_cell_length_c [3.7136]
_cell_angle_alpha [90.0000]
_cell_... |
mp-777622 | LiFeF3 | data_[Li4Fe4F12]
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 [P1]
_cell_length_a [5.2722]
_cell_length_b [5.3678]
_cell_length_c [10.0551]
_cell... |
mp-1188089 | K2Ni3Se4 | data_[K16Ni24Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.0770]
_cell_length_b [10.5783]
_cell_length_c [26.6683]
... |
mp-783906 | Mn2O3F | data_[Mn8O12F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.3313]
_cell_length_b [6.5778]
_cell_length_c [6.0183]
_cell_... |
mp-33498 | Rb2CrCl4 | data_[Rb8Cr4Cl16]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.1357]
_cell_length_b [7.2364]
_cell_length_c [7.2361]
_... |
mp-1207702 | TmSbRh | data_[Tm4Sb4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0949]
_cell_length_b [4.5513]
_cell_length_c [7.8097]
_ce... |
mp-1095593 | Ho2In8Co | data_[Ho2In8Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6445]
_cell_length_b [4.6445]
_cell_length_c [11.9609]
... |
mp-867319 | Al2CoIr | data_[Al8Co4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9042]
_cell_length_b [5.9042]
_cell_length_c [5.9042]
_c... |
mp-23442 | KCdCl3 | data_[K4Cd4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0136]
_cell_length_b [4.0697]
_cell_length_c [14.9068]
_ce... |
mp-1225273 | DyAlSi | data_[Dy4Al4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.0951]
_cell_length_b [4.0951]
_cell_length_c [14.4958]
... |
mp-1001613 | LuGa | data_[Lu4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2334]
_cell_length_b [10.6074]
_cell_length_c [4.0107]
_cell_angle_alpha [90.0000]
_cell_... |
mp-7769 | Th2SN2 | data_[Th2S1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0231]
_cell_length_b [4.0231]
_cell_length_c [6.9420]
_cell_... |
mp-22196 | Dy2Cu(GeO3)4 | data_[Dy2Cu1Ge4O12]
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
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9873]
_cell_length_b [7.283... |
mp-554722 | Y3GaO6 | data_[Y12Ga4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.9348]
_cell_length_b [11.2089]
_cell_length_c [5.4571]
_c... |
mp-570506 | ZrI2 | data_[Zr4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.7764]
_cell_length_b [6.9247]
_cell_length_c [16.3643]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1219049 | SmEuSe2 | data_[Sm3Eu3Se6]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2127]
_cell_length_b [4.2127]
_cell_length_c [20.8757]
_c... |
mp-1027335 | MoWS4 | data_[Mo2W2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1911]
_cell_length_b [3.1911]
_cell_length_c [35.8388]
_cell_... |
mp-1284761 | MnZn2WO6 | data_[Mn3Zn6W3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3221]
_cell_length_b [5.3221]
... |
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