Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-19963 | TiFe2Sn | data_[Ti4Fe8Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0450]
_cell_length_b [6.0450]
_cell_length_c [6.0450]
_c... |
mp-1219958 | Pr2FeGe4 | data_[Pr4Fe2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2830]
_cell_length_b [4.3319]
_cell_length_c [16.3138]
_c... |
mp-4559 | BaCO3 | data_[Ba3C3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3935]
_cell_length_b [5.3935]
_cell_length_c [9.4598]
_cell_an... |
mp-34326 | Li6Br3N | data_[Li12Br6N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3871]
_cell_length_b [8.0833]
_cell_length_c [6.8169]
_cel... |
mp-16035 | Gd2TeO2 | data_[Gd4Te2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9817]
_cell_length_b [3.9817]
_cell_length_c [12.6910]
_c... |
mp-1104053 | Al2HgS4 | data_[Al16Hg8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.4013]
_cell_length_b [10.4013]
_cell_length_c [10.4013]... |
mp-5342 | GaAgS2 | data_[Ga4Ag4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.7867]
_cell_length_b [5.7867]
_cell_length_c [10.6127]
_ce... |
mp-22055 | TbMnO3 | data_[Tb4Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8875]
_cell_length_b [7.5129]
_cell_length_c [5.3368]
_cel... |
mp-1104103 | Dy(MnAl2)4 | data_[Dy2Mn8Al16]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.7844]
_cell_length_b [8.7844]
_cell_length_c [5.1520]
... |
mp-15900 | Sr3Sc2Cu2S2O5 | data_[Sr6Sc4Cu4S4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length... |
mp-33332 | Co5SbO8 | data_[Co15Sb3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0124]
_cell_length_b [6.0124]
_cell_length_c [15.2389]
_c... |
mp-35512 | Dy5AgS8 | data_[Dy10Ag2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.3259]
_cell_length_b [8.3259]
_cell_length_c [8.3678]
_cel... |
mp-1215257 | ZrRh | data_[Zr1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3843]
_cell_length_b [3.3843]
_cell_length_c [3.1456]
_cell_angle_alpha [90.0000]
_cell... |
mp-1225062 | Er2AlSi | data_[Er4Al2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9651]
_cell_length_b [5.7789]
_cell_length_c [7.9296]
_... |
mp-19133 | YVO4 | data_[Y4V4O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.2283]
_cell_length_b [7.2283]
_cell_length_c [6.3673]
_cel... |
mp-1225292 | Dy2CuAg3 | data_[Dy2Cu1Ag3]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7137]
_cell_length_b [3.7137]
_cell_length_c [9.0529]
_ce... |
mp-865030 | HfScRu2 | data_[Hf4Sc4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4530]
_cell_length_b [6.4530]
_cell_length_c [6.4530]
_c... |
mp-1101808 | CeSbIr | data_[Ce4Sb4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2751]
_cell_length_b [4.5786]
_cell_length_c [7.9820]
_ce... |
mp-1223242 | La2Mn3FeSi4 | data_[La2Mn3Fe1Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0175]
_cell_length_b [4.... |
mp-10636 | SrSb2 | data_[Sr2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9548]
_cell_length_b [4.3787]
_cell_length_c [9.1873]
_cell_angle_alpha [90.0000]
_cell... |
mp-23255 | UBr3 | data_[U2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.0435]
_cell_length_b [8.0435]
_cell_length_c [4.4098]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-18950 | BaCa(FeO2)4 | data_[Ba1Ca1Fe4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.5202]
_cell_length_b [5.52... |
mp-1216947 | U2Ga3Cu | data_[U2Ga3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9300]
_cell_length_b [4.6688]
_cell_length_c [8.1416]
_cell... |
mp-1105769 | KNaNbOF5 | data_[K2Na2Nb2O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
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 [P4/nmm]
_cell_length_a... |
mp-1217781 | SrSmNiO4 | data_[Sr4Sm4Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3725]
_cell_length_b [12.3... |
mp-27609 | U3Fe2Si7 | data_[U6Fe4Si14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9947]
_cell_length_b [24.2132]
_cell_length_c [4.0252]
_ce... |
mp-70 | Rb | data_[Rb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [5.6442]
_cell_length_b [5.6442]
_cell_length_c [5.6442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-780535 | BaLu2O4 | data_[Ba4Lu8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3821]
_cell_length_b [11.1320]
_cell_length_c [11.3171]
_c... |
mp-556953 | RbPS3 | data_[Rb4P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.2044]
_cell_length_b [9.0273]
_cell_length_c [9.4785]
_cell_... |
mp-1209268 | RbErBeF6 | data_[Rb2Er2Be2F12]
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
Be 1.5700 1.0500 0.5900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5247]
_cell_length_b [5.... |
mp-1187812 | Zn | data_[Zn9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.6540]
_cell_length_b [2.6540]
_cell_length_c [22.2481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1185985 | MnBe2Ru | data_[Mn4Be8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Be 1.5700 1.0500 0.5900
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5346]
_cell_length_b [5.5346]
_cell_length_c [5.5346]
_c... |
mp-1007664 | InPd3 | data_[In2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1717]
_cell_length_b [4.1717]
_cell_length_c [7.6013]
_cell_angle_alpha [90.0000]
_cell... |
mp-561243 | Sr2CuClO2 | data_[Sr6Cu3Cl3O6]
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
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [4.0374]
_cell_length_b [4.0... |
mp-30334 | Th2Al7 | data_[Th4Al14]
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
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.8698]
_cell_length_b [11.4910]
_cell_length_c [5.5532]
_cell_angle_alpha [90.0000]
_cell... |
mp-764021 | NaMn2O4 | data_[Na4Mn8O16]
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 [I4_1/amd]
_cell_length_a [6.0314]
_cell_length_b [6.0314]
_cell_length_c [9.0807]
... |
mp-1500 | BaS | data_[Ba4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4572]
_cell_length_b [6.4572]
_cell_length_c [6.4572]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1030520 | MoW3(SeS3)2 | data_[Mo1W3Se2S6]
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
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2196]
_cell_length_b [3.2196]... |
mp-752957 | Li4CrSb(WO6)2 | data_[Li4Cr1Sb1W2O12]
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
Sb 2.0500 1.4500 0.8300
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [... |
mp-1103554 | BaCa2Mg(SiO4)2 | data_[Ba1Ca2Mg1Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a... |
mp-4454 | CeCo3B2 | data_[Ce1Co3B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0387]
_cell_length_b [5.0387]
_cell_length_c [3.0214]
_ce... |
mp-1220549 | NbAlFe | data_[Nb8Al8Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.1595]
_cell_length_b [4.9934]
_cell_length_c [8.5133]
_ce... |
mp-753551 | MnCo3O8 | data_[Mn3Co9O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
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 [5.6307]
_cell_length_b [5.6307]
_cell_length_c [14.1168]
_ce... |
mp-1212755 | Gd2ZnPtO6 | data_[Gd4Zn2Pt2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4182]
_cell_length_b [5.... |
mp-1095642 | Eu2Ge | data_[Eu8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6681]
_cell_length_b [5.0267]
_cell_length_c [9.3159]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-20902 | InAg(PSe3)2 | data_[In2Ag2P4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.5887]
_cell_length_b [6.5... |
mp-1218253 | SrLa(RuO3)2 | data_[Sr2La2Ru4O12]
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
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.9693]
_cell_length_b [5.... |
mp-1104191 | Sm(MnCo2)4 | data_[Sm2Mn8Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.4216]
_cell_length_b [8.4216]
_cell_length_c [4.5582]
... |
mp-1209937 | NdLuO3 | data_[Nd4Lu4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9796]
_cell_length_b [8.3271]
_cell_length_c [5.7317]
_cel... |
mp-1228792 | AsPPt | data_[As4P4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [5.9106]
_cell_length_b [5.9106]
_cell_length_c [5.9106]
_cel... |
mp-1025301 | GaPPd5 | data_[Ga1P1Pd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9351]
_cell_length_b [3.9351]
_cell_length_c [6.8765]
_ce... |
mp-40189 | BaLiLaTeO6 | data_[Ba4Li4La4Te4O24]
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
La 1.1000 1.9500 1.1720
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-1272202 | FeMoClO4 | data_[Fe2Mo2Cl2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [6.7508]
_cell_length_b [6.750... |
mp-29362 | GaCuCl4 | data_[Ga2Cu2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-42c]
_cell_length_a [5.5790]
_cell_length_b [5.5790]
_cell_length_c [10.2314]
_... |
mp-865131 | Hf2OsRh | data_[Hf8Os4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Os 2.2000 1.3000 0.6730
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5325]
_cell_length_b [6.5325]
_cell_length_c [6.5325]
_c... |
mp-21197 | NdIn3 | data_[Nd1In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7236]
_cell_length_b [4.7236]
_cell_length_c [4.7236]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1246790 | Mg2AlCr3S8 | data_[Mg6Al3Cr9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
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 [7.2361]
_cell_length_b [7.23... |
mp-865548 | TiInCo2 | data_[Ti4In4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0078]
_cell_length_b [6.0078]
_cell_length_c [6.0078]
_c... |
mp-1216650 | UFeCo | data_[U4Fe4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.8462]
_cell_length_b [4.9068]
_cell_length_c [6.9475]
_cell... |
mp-4047 | Cs2SiF6 | data_[Cs8Si4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Si 1.9000 1.1000 0.5400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0715]
_cell_length_b [9.0715]
_cell_length_c [9.0715]
_ce... |
mp-1567921 | Ca3CoO6 | data_[Ca12Co4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.1774]
_cell_length_b [8.8368]
_cell_length_c [6.3512]
_cell... |
mp-862331 | La2CuRu | data_[La8Cu4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1705]
_cell_length_b [7.1705]
_cell_length_c [7.1705]
_c... |
mp-1226405 | Cr4CuNiSe8 | data_[Cr16Cu4Ni4Se32]
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
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.3333]
_cell_length_b ... |
mp-1018675 | DyS2 | data_[Dy2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8569]
_cell_length_b [3.8569]
_cell_length_c [7.9813]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-10904 | AlPt | data_[Al4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [4.9174]
_cell_length_b [4.9174]
_cell_length_c [4.9174]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753643 | Li2VF5 | data_[Li8V4F20]
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 [C2/c]
_cell_length_a [12.5461]
_cell_length_b [5.0209]
_cell_length_c [5.5893]
_cell... |
mp-997159 | CrAuO2 | data_[Cr2Au2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0748]
_cell_length_b [3.0748]
_cell_length_c [12.3655]
... |
mp-3551 | TbAgTe2 | data_[Tb2Ag2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [7.1332]
_cell_length_b [7.1332]
_cell_length_c [4.7569]
... |
mp-1284741 | Ca2V3O8 | data_[Ca4V6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2708]
_cell_length_b [6.2455]
_cell_length_c [4.9704]
_cell... |
mp-9922 | HfS3 | data_[Hf2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1492]
_cell_length_b [3.6116]
_cell_length_c [9.7060]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1666963 | La2MnCrO6 | data_[La4Mn2Cr2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6309]
_cell_length_b [5.721... |
mp-867284 | Ho2CuRh | data_[Ho8Cu4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8767]
_cell_length_b [6.8767]
_cell_length_c [6.8767]
_c... |
mp-1220877 | NaTi3FeO8 | data_[Na2Ti6Fe2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4003]
_cell_length_b [3.843... |
mp-653811 | Sr2NdCu3(PbO4)2 | data_[Sr2Nd1Cu3Pb2O8]
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
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_lengt... |
mp-1225723 | ErLu(B2Ru)2 | data_[Er2Lu2B8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Lu 1.2700 1.7500 1.0010
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.2810]
_cell_length_b [6.3... |
mp-1222900 | LaZrNO2 | data_[La4Zr4N4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
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 [Pnma]
_cell_length_a [5.8827]
_cell_length_b [8.4262]... |
mp-1220511 | Nb5Si6W5 | data_[Nb10Si12W10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9127]
_cell_length_b [5.0762]
_cell_length_c [9.8481]
_ce... |
mp-1212864 | Dy5SbPd2 | data_[Dy20Sb4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7813]
_cell_length_b [7.7813]
_cell_length_c [13.6336]... |
mp-866064 | NdMgAu2 | data_[Nd4Mg4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1231]
_cell_length_b [7.1231]
_cell_length_c [7.1231]
_c... |
mp-1113040 | Cs2KMoI6 | data_[Cs8K4Mo4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Mo 2.1600 1.4500 0.7750
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.4228]
_cell_length_b [12.4... |
mp-1215392 | Zr5Sc5Ga6 | data_[Zr10Sc10Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.8594]
_cell_length_b [13.9456]
_cell_length_c [8.1006]... |
mp-1094065 | Sr2Co2O5 | data_[Sr2Co2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6003]
_cell_length_b [5.6003]
_cell_length_c [3.7087]
_ce... |
mp-1210641 | Mg3B2Rh5 | data_[Mg6B4Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5305]
_cell_length_b [9.5305]
_cell_length_c [2.9558]
_c... |
mp-1024968 | PuB2Rh3 | data_[Pu1B2Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6512]
_cell_length_b [5.6512]
_cell_length_c [2.9325]
_ce... |
mp-1286841 | Mg4FeO5 | data_[Mg12Fe3O15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0218]
_cell_length_b [3.0218]
_cell_length_c [37.2578]
_c... |
mp-23241 | YBi | data_[Y4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3410]
_cell_length_b [6.3410]
_cell_length_c [6.3410]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1185041 | KHg3 | data_[K1Hg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0694]
_cell_length_b [5.0694]
_cell_length_c [5.0694]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-10373 | Cr3PdN | data_[Cr3Pd1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Pd 2.2000 1.4000 0.8462
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8399]
_cell_length_b [3.8399]
_cell_length_c [3.8399]
_cel... |
mp-1039535 | Ce2Mg | data_[Ce8Mg4]
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 [Cmcm]
_cell_length_a [3.1137]
_cell_length_b [18.9327]
_cell_length_c [5.1751]
_cell_angle_alpha [90.0000]
_cell_... |
mp-27743 | BiF5 | data_[Bi2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.9161]
_cell_length_b [6.9161]
_cell_length_c [4.3550]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-9010 | RbAuS | data_[Rb4Au4S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7430]
_cell_length_b [8.1627]
_cell_length_c [7.0979]
_cell... |
mp-1094297 | Sr3Mg | data_[Sr6Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3179]
_cell_length_b [12.9106]
_cell_length_c [6.6772]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225200 | FeCoSn2 | data_[Fe3Co3Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1683]
_cell_length_b [4.3337]
_cell_length_c [9.3914]
_ce... |
mp-8732 | Ta2Se | data_[Ta4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.4043]
_cell_length_b [3.4043]
_cell_length_c [10.3380]
_cell_angle_alpha [90.0000]
_cel... |
mp-1304379 | Li3MnV4O12 | data_[Li3Mn1V4O12]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8410]
_cell_length_b [6.9919]
... |
mp-28421 | Cs2HgI4 | data_[Cs4Hg2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1414]
_cell_length_b [8.6150]
_cell_length_c [11.2866]
_c... |
mp-867924 | LiCdPd2 | data_[Li4Cd4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3591]
_cell_length_b [6.3591]
_cell_length_c [6.3591]
_c... |
mp-1094729 | MgGa | data_[Mg2Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.2506]
_cell_length_b [5.1341]
_cell_length_c [4.8307]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1520732 | SrCaGdBiO6 | data_[Sr2Ca2Gd2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Gd 1.2000 1.8000 1.0750
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1185039 | Li2CeSn | data_[Li8Ce4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8834]
_cell_length_b [6.8834]
_cell_length_c [6.8834]
_c... |
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