Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1225767 | Dy(Co5Mo)2 | data_[Dy2Co20Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6808]
_cell_length_b [8.4472]
_cell_length_c [8.4610]
_c... |
mp-8275 | CdGeO3 | data_[Cd6Ge6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1944]
_cell_length_b [5.1944]
_cell_length_c [15.2569]
_cel... |
mp-8860 | Na3As | data_[Na12As4]
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 [Fm-3m]
_cell_length_a [7.1743]
_cell_length_b [7.1743]
_cell_length_c [7.1743]
_cell_angle_alpha [90.0000]
_cell... |
mp-1208221 | Ti5Te8 | data_[Ti10Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7666]
_cell_length_b [7.8824]
_cell_length_c [9.2328]
_cell_angle_alpha [90.0000]
_cel... |
mp-2674 | YPt2 | data_[Y8Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.7070]
_cell_length_b [7.7070]
_cell_length_c [7.7070]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1208923 | Sr(TlHg)2 | data_[Sr4Tl8Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.9469]
_cell_length_b [10.9469]
_cell_length_c [5.031... |
mp-1185830 | Mg5In | data_[Mg10In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1788]
_cell_length_b [3.2183]
_cell_length_c [16.6800]
_cell_angle_alpha [90.0000]
_cell... |
mp-1078005 | K(Cu2Sb)2 | data_[K3Cu12Sb6]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3129]
_cell_length_b [4.3129]
_cell_length_c [27.1042]
_ce... |
mp-1516972 | SrEuVWO6 | data_[Sr4Eu4V4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
V 1.6300 1.3500 0.7775
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a ... |
mp-4805 | Gd2SO2 | data_[Gd2S1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8687]
_cell_length_b [3.8687]
_cell_length_c [6.6950]
_cell_... |
mp-10521 | Y(AlGe)2 | data_[Y1Al2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2909]
_cell_length_b [4.2909]
_cell_length_c [6.6215]
_cel... |
mp-71 | Yb | data_[Yb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [4.3030]
_cell_length_b [4.3030]
_cell_length_c [4.3030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-755428 | Rb3ClO | data_[Rb12Cl4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0699]
_cell_length_b [4.3560]
_cell_length_c [15.9418]
_ce... |
mp-1080693 | Cs2Bi2Pd | data_[Cs8Bi8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.0668]
_cell_length_b [15.1675]
_cell_length_c [7.1701]
_c... |
mp-556639 | DyNbO4 | data_[Dy4Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
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 [7.1526]
_cell_length_b [11.1281]
_cell_length_c [5.1468]
_ce... |
mp-1094983 | Mg5Bi | data_[Mg5Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.8184]
_cell_length_b [5.8184]
_cell_length_c [5.0558]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104450 | Dy3Ga9Pt2 | data_[Dy6Ga18Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2536]
_cell_length_b [9.8473]
_cell_length_c [12.4022]
_... |
mp-865562 | Be3Ru | data_[Be6Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.1798]
_cell_length_b [3.1798]
_cell_length_c [7.5086]
_cell_angle_alpha [90.0000]
_cell... |
mp-1103978 | Tb5Ir2 | data_[Tb20Ir8]
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 [C2/c]
_cell_length_a [15.9112]
_cell_length_b [6.5239]
_cell_length_c [7.2050]
_cell_angle_alpha [90.0000]
_cell... |
mp-8579 | Ba(AgS)2 | data_[Ba1Ag2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4251]
_cell_length_b [4.4251]
_cell_length_c [7.2810]
_cel... |
mp-1275341 | CaFeO3 | data_[Ca4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P2_1/c]
_cell_length_a [5.3710]
_cell_length_b [5.5028]
_cell_length_c [9.2729]
_c... |
mp-1207102 | Sr(AlGa)2 | data_[Sr2Al4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4161]
_cell_length_b [4.4161]
_cell_length_c [11.0839]
... |
mp-3395 | SrSeO3 | data_[Sr2Se2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4931]
_cell_length_b [5.5951]
_cell_length_c [6.7408]
_ce... |
mp-760179 | Cu3(OF)2 | data_[Cu6O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5900]
_cell_length_b [6.1097]
_cell_length_c [5.2988]
_cell... |
mp-1238853 | TiCrCuS4 | data_[Ti4Cr4Cu4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [I2_12_12_1]
_cell_length_a [6.9587]
_cell_length_b... |
mp-1220071 | NiIr | data_[Ni3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.6771]
_cell_length_b [2.6771]
_cell_length_c [12.5133]
_cell_angle_alpha [90.0000]
_cell_... |
mp-16259 | Ca(GeIr)2 | data_[Ca2Ge4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1964]
_cell_length_b [4.1964]
_cell_length_c [10.4691]
... |
mp-1103118 | RbCuO | data_[Rb8Cu8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [9.6453]
_cell_length_b [9.6453]
_cell_length_c [5.9156]
_cel... |
mp-777846 | Li2MnF4 | data_[Li4Mn2F8]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.2214]
_cell_length_b [3.2397]
_cell_length_c [10.5155]
_cell_... |
mp-865227 | TmMgCd2 | data_[Tm4Mg4Cd8]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1718]
_cell_length_b [7.1718]
_cell_length_c [7.1718]
_c... |
mp-1189550 | Ce5CuPb3 | data_[Ce10Cu2Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6135]
_cell_length_b [9.6135]
_cell_length_c [6.5879... |
mp-1219038 | SmUTe6 | data_[Sm2U2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3932]
_cell_length_b [4.3705]
_cell_length_c [25.5791]
_ce... |
mp-1177894 | Li2MnNiO4 | data_[Li4Mn2Ni2O8]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0530]
_cell_length_b [4.05... |
mp-777151 | LiFe2F7 | data_[Li2Fe4F14]
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 [P2/c]
_cell_length_a [5.5830]
_cell_length_b [5.1846]
_cell_length_c [10.1066]
_ce... |
mp-1228861 | AlNi6Pd | data_[Al1Ni6Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5936]
_cell_length_b [3.5936]
_cell_length_c [7.2328]
_... |
mp-5331 | AlPO4 | data_[Al3P3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [5.0550]
_cell_length_b [5.0550]
_cell_length_c [11.1622]
_ce... |
mp-1218171 | SrNd3(NiO4)2 | data_[Sr2Nd6Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3962]
_cell_length_b [5.36... |
mp-30040 | BaCdSb2 | data_[Ba4Cd4Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6133]
_cell_length_b [4.6133]
_cell_length_c [24.8226]
... |
mp-1080495 | ZrGaPt | data_[Zr3Ga3Pt3]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1990]
_cell_length_b [7.1990]
_cell_length_c [3.6137]
_c... |
mp-1224863 | GaCo4Ge3 | data_[Ga3Co12Ge9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.5204]
_cell_length_b [6.5204]
_cell_length_c [8.1298]
_cel... |
mp-997042 | TlCuO2 | data_[Tl2Cu2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6751]
_cell_length_b [5.4856]
_cell_length_c [5.8599]
_ce... |
mp-1017510 | MgTe | data_[Mg2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2445]
_cell_length_b [4.2445]
_cell_length_c [6.8637]
_cell_angle_alpha [90.0000]
_ce... |
mp-1183318 | BaNaTl2 | data_[Ba4Na4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2327]
_cell_length_b [8.2327]
_cell_length_c [8.2327]
_c... |
mp-1220669 | Nb3AlCo8 | data_[Nb9Al3Co24]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7431]
_cell_length_b [4.7431]
_cell_length_c [23.2077]
_c... |
mp-764715 | V2OF5 | data_[V2O1F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6322]
_cell_length_b [4.8988]
_cell_length_c [4.9058]
_cell_angle... |
mp-1185373 | LiLu2Co | data_[Li4Lu8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Lu 1.2700 1.7500 1.0010
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7429]
_cell_length_b [6.7429]
_cell_length_c [6.7429]
_c... |
mp-1187194 | Ta2TiRe | data_[Ta8Ti4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4524]
_cell_length_b [6.4524]
_cell_length_c [6.4524]
_c... |
mp-755177 | EuSeO3 | data_[Eu2Se2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4722]
_cell_length_b [5.5139]
_cell_length_c [6.5794]
_ce... |
mp-1227053 | CaMnSe2 | data_[Ca3Mn3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0445]
_cell_length_b [4.0445]
_cell_length_c [19.5849]
_c... |
mp-9107 | NaZrCuS3 | data_[Na4Zr4Cu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7116]
_cell_length_b [13.1... |
mp-569678 | Rh4Pb5 | data_[Rh32Pb40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.8327]
_cell_length_b [9.9950]
_cell_length_c [27.0837]
_cell_angle_alpha [90.0000]
_cel... |
mp-22518 | YbMnO3 | data_[Yb4Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3700]
_cell_length_b [7.4696]
_cell_length_c [5.2439]
_cel... |
mp-30058 | TlSbO3 | data_[Tl6Sb6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4054]
_cell_length_b [5.4054]
_cell_length_c [22.5748]
_cel... |
mp-1224860 | GaNi6Ge | data_[Ga1Ni6Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5702]
_cell_length_b [3.5702]
_cell_length_c [7.1417]
_... |
mp-3442 | CaTiO3 | data_[Ca4Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.4172]
_cell_length_b [5.4172]
_cell_length_c [7.8403]
_c... |
mp-132 | Ca | data_[Ca2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.8966]
_cell_length_b [3.8966]
_cell_length_c [6.4513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-505315 | Ba2LaCu3O8 | data_[Ba2La1Cu3O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9842]
_cell_length_b [3.9... |
mp-865304 | Tm2CoRu | data_[Tm8Co4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6551]
_cell_length_b [6.6551]
_cell_length_c [6.6551]
_c... |
mp-1102207 | ErGaNi | data_[Er4Ga4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7529]
_cell_length_b [4.2411]
_cell_length_c [7.3461]
_ce... |
mp-1078725 | Ba2UZnO6 | data_[Ba8U4Zn4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
U 1.3800 1.7500 0.9913
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5001]
_cell_length_b [8.500... |
mp-27863 | AlClO | data_[Al2Cl2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.1699]
_cell_length_b [3.6608]
_cell_length_c [8.4955]
_cell... |
mp-1227401 | Ca(DyTe2)2 | data_[Ca1Dy2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5371]
_cell_length_b [4.4118]
_cell_length_c [7.7515]
_ce... |
mp-1079568 | NaIrO3 | data_[Na4Ir4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1169]
_cell_length_b [10.4084]
_cell_length_c [7.2300]
_ce... |
mp-558099 | Nb2Tl5S4Br9 | data_[Nb4Tl10S8Br18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.4503]
_cell_length_b [10.... |
mp-20840 | MnCo2Sn | data_[Mn4Co8Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9909]
_cell_length_b [5.9909]
_cell_length_c [5.9909]
_c... |
mp-3299 | Sr(FeP)2 | data_[Sr2Fe4P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8186]
_cell_length_b [3.8186]
_cell_length_c [11.3781]
_c... |
mp-1190059 | EuHfS3 | data_[Eu4Hf4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Hf 1.3000 1.5500 0.8500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0972]
_cell_length_b [9.7181]
_cell_length_c [6.6905]
_cel... |
mp-1225219 | EuAl8SiAu4 | data_[Eu1Al8Si1Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.2948]
_cell_length_b [4.2... |
mp-1078868 | Sr2MgReO6 | data_[Sr4Mg2Re2O12]
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
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.6206]
_cell_length_b [5.62... |
mp-1215575 | ZnAu4 | data_[Zn3Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9775]
_cell_length_b [2.9775]
_cell_length_c [34.3835]
_cell_angle_alpha [90.0000]
_cell... |
mp-1216714 | TiNbAlC | data_[Ti2Nb2Al2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.1033]
_cell_length_b [3.10... |
mp-1246115 | Mg4SnN4 | data_[Mg8Sn2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5891]
_cell_length_b [5.6328]
_cell_length_c [8.4324]
_cell_... |
mp-556026 | VOF3 | data_[V4O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8711]
_cell_length_b [5.3824]
_cell_length_c [9.6966]
_cell_... |
mp-865890 | Li2CaIn | data_[Li8Ca4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0854]
_cell_length_b [7.0854]
_cell_length_c [7.0854]
_c... |
mp-867120 | TaMn2Al | data_[Ta4Mn8Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9982]
_cell_length_b [5.9982]
_cell_length_c [5.9982]
_c... |
mp-1221857 | Mn4FeO5 | data_[Mn8Fe2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [I4/mmm]
_cell_length_a [3.1724]
_cell_length_b [3.1724]
_cell_length_c [22.0814]
_... |
mp-1078895 | Mn3Pd5 | data_[Mn6Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2751]
_cell_length_b [8.2398]
_cell_length_c [4.0886]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215368 | Zr4FeCo | data_[Zr8Fe2Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [6.2886]
_cell_length_b [6.2886]
_cell_length_c [5.6605]
_ce... |
mp-1025517 | Ti2InN | data_[Ti4In2N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1120]
_cell_length_b [3.1120]
_cell_length_c [13.9566]
... |
mp-1215456 | YbErSe2 | data_[Yb3Er3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0614]
_cell_length_b [4.0614]
_cell_length_c [20.3002]
_c... |
mp-1207567 | YbHfF7 | data_[Yb2Hf2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.0159]
_cell_length_b [6.0421]
_cell_length_c [8.1056]
_cel... |
mp-582282 | GdAgSe2 | data_[Gd4Ag4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [5.7376]
_cell_length_b [5.7376]
_cell_length_c [12.3538]
... |
mp-865403 | Tm2MgGe2 | data_[Tm4Mg2Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1928]
_cell_length_b [7.1928]
_cell_length_c [4.2015]
_... |
mp-1305888 | Li2VNiO4 | data_[Li8V4Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2089]
_cell_length_b [5.959... |
mp-1014226 | Zr3ZnN | data_[Zr12Zn4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3611]
_cell_length_b [11.5591]
_cell_length_c [8.9640]
_ce... |
mp-7874 | LiGaGe | data_[Li2Ga2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.2313]
_cell_length_b [4.2313]
_cell_length_c [6.8646]
_... |
mp-1038955 | CeMg2 | data_[Ce4Mg8]
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 [C2/m]
_cell_length_a [13.2946]
_cell_length_b [3.1797]
_cell_length_c [7.4194]
_cell_angle_alpha [90.0000]
_cell_... |
mp-11523 | Ni3Sn | data_[Ni12Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9228]
_cell_length_b [5.9228]
_cell_length_c [5.9228]
_cell_angle_alpha [90.0000]
_cell... |
mp-1095420 | ZnMoO4 | data_[Zn2Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.7497]
_cell_length_b [5.8455]
_cell_length_c [4.9666]
_cell... |
mp-1223243 | La2Cu2SeSO2 | data_[La2Cu2Se1S1O2]
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
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a ... |
mp-1603 | TmGa3 | data_[Tm1Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2465]
_cell_length_b [4.2465]
_cell_length_c [4.2465]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1173910 | Li2MnCoO4 | data_[Li4Mn2Co2O8]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.1311]
_cell_length_b [5.956... |
mp-935811 | KNbO3 | data_[K1Nb1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0575]
_cell_length_b [4.0575]
_cell_length_c [4.0575]
_cell_... |
mp-551214 | CeCrS2O | data_[Ce4Cr4S8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3037]
_cell_length_b [3.7781... |
mp-542339 | CsIn3 | data_[Cs6In18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.2508]
_cell_length_b [7.2508]
_cell_length_c [17.1727]
_cell_angle_alpha [90.0000]
_cel... |
mp-1185304 | LiAlZn2 | data_[Li4Al4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2187]
_cell_length_b [6.2187]
_cell_length_c [6.2187]
_c... |
mp-1224096 | Ho2CoGe4 | data_[Ho4Co2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0998]
_cell_length_b [4.1215]
_cell_length_c [15.8518]
_c... |
mp-13079 | Mn2AlCo | data_[Mn8Al4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7423]
_cell_length_b [5.7423]
_cell_length_c [5.7423]
_c... |
mp-1184899 | HoTm3 | data_[Ho2Tm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1181]
_cell_length_b [7.1181]
_cell_length_c [5.5679]
_cell_angle_alpha [90.0000]
_ce... |
mp-1640 | Ho2C | data_[Ho6C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5758]
_cell_length_b [3.5758]
_cell_length_c [18.2818]
_cell_angle_alpha [90.0000]
_cell_an... |
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