Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1184879 | IBr2 | data_[I2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.4462]
_cell_length_b [7.4462]
_cell_length_c [4.8564]
_cell_angle_alpha [90.0000]
_cell... |
mp-1111483 | Rb2CuPdF6 | data_[Rb8Cu4Pd4F24]
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
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4965]
_cell_length_b [8.4... |
mp-1219514 | Sb3O7 | data_[Sb12O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2777]
_cell_length_b [7.3116]
_cell_length_c [10.5912]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1226826 | Ce2Al2PdPt | data_[Ce4Al4Pd2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4479]
_cell_length_b [7... |
mp-1106089 | Ba2InGaO5 | data_[Ba8In4Ga4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.7858]
_cell_length_b [6.2... |
mp-11499 | YMg2 | data_[Y4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0594]
_cell_length_b [6.0594]
_cell_length_c [9.8399]
_cell_angle_alpha [90.0000]
_cell... |
mp-19835 | Nb2InC | data_[Nb4In2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2029]
_cell_length_b [3.2029]
_cell_length_c [14.5171]
... |
mp-22750 | P2Pb3O8 | data_[P6Pb9O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5642]
_cell_length_b [5.5642]
_cell_length_c [20.5312]
_cell... |
mp-1113319 | Rb2HgAsCl6 | data_[Rb8Hg4As4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7279]
_cell_length_b [... |
mp-1104533 | NaPrTiO4 | data_[Na2Pr2Ti2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7774]
_cell_length_b [3.7... |
mp-11792 | PrCuSe2 | data_[Pr4Cu4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7848]
_cell_length_b [7.5512]
_cell_length_c [7.2485]
_... |
mp-561320 | PbS | data_[Pb4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.0074]
_cell_length_b [6.0255]
_cell_length_c [22.4386]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1110642 | Cs2NaGaBr6 | data_[Cs8Na4Ga4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1506]
_cell_length_b [... |
mp-2249 | HoZn | data_[Ho1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.5568]
_cell_length_b [3.5568]
_cell_length_c [3.5568]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1213791 | CeGaIr | data_[Ce4Ga4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8762]
_cell_length_b [4.3677]
_cell_length_c [7.8881]
_ce... |
mp-8119 | PrCuSi | data_[Pr2Cu2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2400]
_cell_length_b [4.2400]
_cell_length_c [8.0419]... |
mp-1282272 | MnOF | data_[Mn4O4F4]
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 [Pnma]
_cell_length_a [13.2716]
_cell_length_b [3.8170]
_cell_length_c [3.2411]
_cell_... |
mp-1186453 | Pm2GaCu | data_[Pm8Ga4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2631]
_cell_length_b [7.2631]
_cell_length_c [7.2631]
_c... |
mp-1222748 | Li2UBr6 | data_[Li2U1Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
U 1.3800 1.7500 0.9913
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.9824]
_cell_length_b [6.9824]
_cell_length_c [7.0171]
_cel... |
mp-1205520 | Eu2DyTaO6 | data_[Eu8Dy4Ta4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Dy 1.2200 1.7500 1.1310
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4047]
_cell_length_b [8.4... |
mp-754182 | TbZr4O10 | data_[Tb2Zr8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.2396]
_cell_length_b [8.2396]
_cell_length_c [5.1944]
_cel... |
mp-9436 | La3HfSb5 | data_[La6Hf2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
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 [9.6477]
_cell_length_b [9.6477]
_cell_length_c [6.4008... |
mp-18863 | PrCrO4 | data_[Pr4Cr4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.4811]
_cell_length_b [7.4811]
_cell_length_c [6.4824]
... |
mp-18879 | V2ZnO4 | data_[V16Zn8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.5685]
_cell_length_b [8.5685]
_cell_length_c [8.5685]
_cel... |
mp-1247126 | Dy3Mg2VS8 | data_[Dy9Mg6V3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8259]
_cell_length_b [7.8259... |
mp-21900 | Ce(SiIr)2 | data_[Ce2Si4Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1634]
_cell_length_b [4.1634]
_cell_length_c [9.9314]
_... |
mp-30056 | CsCaBr3 | data_[Cs1Ca1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7726]
_cell_length_b [5.7726]
_cell_length_c [5.7726]
_c... |
mp-21477 | RbIn4 | data_[Rb2In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0810]
_cell_length_b [5.0810]
_cell_length_c [12.8029]
_cell_angle_alpha [90.0000]
_cel... |
mp-1020026 | LiBeBO3 | data_[Li2Be2B2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6376]
_cell_length_b [4.7067]
... |
mp-568195 | U6Mn | data_[U24Mn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.8775
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.1285]
_cell_length_b [10.1285]
_cell_length_c [5.3009]
_cell_angle_alpha [90.0000]
_cel... |
mp-754152 | YBiO3 | data_[Y6Bi6O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.0330]
_cell_length_b [6.0330]
_cell_length_c [15.2104]
_cell_... |
mp-864601 | LiMg2Rh | data_[Li4Mg8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3909]
_cell_length_b [6.3909]
_cell_length_c [6.3909]
_c... |
mp-1215631 | YbGePd | data_[Yb4Ge4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2062]
_cell_length_b [4.5075]
_cell_length_c [7.1465]
_c... |
mp-11438 | Sc(GaFe)6 | data_[Sc2Ga12Fe12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9934]
_cell_length_b [8.4316]
_cell_length_c [8.5983]
_... |
mp-15803 | Y2MgSe4 | data_[Y16Mg8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.7040]
_cell_length_b [11.7040]
_cell_length_c [11.7040]... |
mp-1094352 | Sr2Mg | data_[Sr8Mg4]
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 [C2/m]
_cell_length_a [13.4039]
_cell_length_b [4.0713]
_cell_length_c [10.1813]
_cell_angle_alpha [90.0000]
_cell... |
mp-754896 | Li3(NiO2)4 | data_[Li6Ni8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
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 [10.1000]
_cell_length_b [5.7120]
_cell_length_c [5.6478]
_ce... |
mp-753478 | BiOF | data_[Bi4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
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 [6.0381]
_cell_length_b [5.7731]
_cell_length_c [5.8177]
_cell... |
mp-1210556 | Lu5In4 | data_[Lu10In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.0800]
_cell_length_b [9.0800]
_cell_length_c [6.5923]
_cell_angle_alpha [90.0000]
_c... |
mp-1094801 | MgSn | data_[Mg1Sn1]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3176]
_cell_length_b [3.3176]
_cell_length_c [4.3730]
_cell_angle_alpha [90.0000]
_cell... |
mp-35644 | Sr3FeN3 | data_[Sr6Fe2N6]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.6427]
_cell_length_b [7.6427]
_cell_length_c [5.3238]
_ce... |
mp-770632 | Li3CrO4 | data_[Li6Cr2O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.4023]
_cell_length_b [5.4633]
_cell_length_c [5.0255]
_ce... |
mp-1187730 | Y2ZnRh | data_[Y8Zn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0072]
_cell_length_b [7.0072]
_cell_length_c [7.0072]
_cel... |
mp-1516941 | SrCaEuWO6 | data_[Sr4Ca4Eu4W4O24]
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
Eu 1.2000 1.8500 1.1985
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-30045 | CoGe2 | data_[Co8Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.9310]
_cell_length_b [5.6750]
_cell_length_c [5.6768]
_cell_angle_alpha [90.0000]
_cell... |
mp-1147619 | Li3YBr6 | data_[Li12Y4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9890]
_cell_length_b [11.9859]
_cell_length_c [13.4012]
_... |
mp-973689 | Ho3Lu | data_[Ho6Lu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1590]
_cell_length_b [7.1590]
_cell_length_c [5.5688]
_cell_angle_alpha [90.0000]
_ce... |
mp-1187174 | SrEuTl2 | data_[Sr4Eu4Tl8]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1527]
_cell_length_b [8.1527]
_cell_length_c [8.1527]
_c... |
mp-1185829 | Mg5Sc | data_[Mg10Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1907]
_cell_length_b [3.2364]
_cell_length_c [16.5837]
_cell_angle_alpha [90.0000]
_cell... |
mp-1224549 | GdZnSi | data_[Gd1Zn1Si1]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1353]
_cell_length_b [4.1353]
_cell_length_c [4.1058]
_c... |
mp-862732 | PmZn3 | data_[Pm2Zn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4376]
_cell_length_b [6.4376]
_cell_length_c [4.4519]
_cell_angle_alpha [90.0000]
_ce... |
mp-754979 | Y3AlO6 | data_[Y12Al4O24]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.9048]
_cell_length_b [11.1513]
_cell_length_c [5.4016]
_c... |
mp-1219795 | Ni6SnSe2 | data_[Ni12Sn2Se4]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6911]
_cell_length_b [3.6911]
_cell_length_c [18.8083]
_... |
mp-765709 | Li5Ti2Fe3O10 | data_[Li5Ti2Fe3O10]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1680]
_cell_length_b [5.238... |
mp-1217787 | SrSmMn2O6 | data_[Sr2Sm2Mn4O12]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7254]
_cell_length_b [5.... |
mp-5601 | HoCoSn | data_[Ho4Co4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2389]
_cell_length_b [4.5793]
_cell_length_c [7.3034]
_ce... |
mp-1218986 | SmSbTe3 | data_[Sm3Sb3Te9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4039]
_cell_length_b [4.4039]
_cell_length_c [31.6069]
_ce... |
mp-23215 | ThCl4 | data_[Th4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.5597]
_cell_length_b [8.5597]
_cell_length_c [7.7085]
_cell_angle_alpha [90.0000]
_c... |
mp-1214136 | CBrF2 | data_[C4Br4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1682]
_cell_length_b [6.4908]
_cell_length_c [8.8394]
_cell... |
mp-1206068 | InBi2S4Br | data_[In2Bi4S8Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7715]
_cell_length_b [3.94... |
mp-1225364 | Eu2Ga7Ag | data_[Eu2Ga7Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3628]
_cell_length_b [4.3628]
_cell_length_c [10.9405]
_... |
mp-1187863 | YTmZn2 | data_[Y4Tm4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1186]
_cell_length_b [7.1186]
_cell_length_c [7.1186]
_cel... |
mp-754667 | BaSr2I6 | data_[Ba4Sr8I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0690]
_cell_length_b [15.4891]
_cell_length_c [11.9208]
_c... |
mp-1219767 | PrTiFe11 | data_[Pr2Ti2Fe22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6902]
_cell_length_b [8.6371]
_cell_length_c [8.5671]
_c... |
mp-15639 | HgRhF6 | data_[Hg3Rh3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2898]
_cell_length_b [5.2898]
_cell_length_c [14.8597]
_cel... |
mp-4889 | Y(GeRh)2 | data_[Y2Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1480]
_cell_length_b [4.1480]
_cell_length_c [10.3901]
_c... |
mp-2331 | B2Mo | data_[B12Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0280]
_cell_length_b [3.0280]
_cell_length_c [20.9658]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-4302 | Nd(NiGe)2 | data_[Nd2Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1440]
_cell_length_b [4.1440]
_cell_length_c [9.8767]
_... |
mp-1215239 | ZrSc(NiSn)2 | data_[Zr3Sc3Ni6Sn6]
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
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3610]
_cell_length_b [4.36... |
mp-1220418 | Nb6RuRh | data_[Nb6Ru1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [5.1812]
_cell_length_b [5.1812]
_cell_length_c [5.1812]
_ce... |
mp-1989 | Ta5Si3 | data_[Ta20Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5613]
_cell_length_b [6.5613]
_cell_length_c [11.9329]
_cell_angle_alpha [90.0000]
_c... |
mp-1188482 | Tm2InAu2 | data_[Tm8In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.9796]
_cell_length_b [7.9796]
_cell_length_c [7.2209]... |
mp-1028826 | Te6MoW3S2 | data_[Te6Mo1W3S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
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 [3.4576]
_cell_length_b [3.4576]... |
mp-1101769 | ThReB4 | data_[Th4Re4B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.4883]
_cell_length_b [9.5959]
_cell_length_c [3.7479]
_cel... |
mp-753493 | CeU5O12 | data_[Ce2U10O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6554]
_cell_length_b [11.5270]
_cell_length_c [6.6546]
_cel... |
mp-763929 | Ni3OF5 | data_[Ni6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.6231]
_cell_length_b [4.6948]
_cell_length_c [7.7594]
_cell_... |
mp-20676 | ErNiGe | data_[Er4Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8371]
_cell_length_b [4.2110]
_cell_length_c [7.2634]
_ce... |
mp-15349 | Li2GeO3 | data_[Li8Ge4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.7284]
_cell_length_b [5.5482]
_cell_length_c [4.9348]
_c... |
mp-1101982 | VCoP | data_[V4Co4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8730]
_cell_length_b [3.5062]
_cell_length_c [6.7011]
_cell_a... |
mp-1102737 | HoAlPd | data_[Ho4Al4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8776]
_cell_length_b [4.4729]
_cell_length_c [7.7426]
_ce... |
mp-850438 | LiVGeO5 | data_[Li2V2Ge2O10]
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
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7618]
_cell_length_b [6.46... |
mp-1187811 | YAg3 | data_[Y4Ag12]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9608]
_cell_length_b [6.9608]
_cell_length_c [6.9608]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1265 | MgO | data_[Mg4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.2565]
_cell_length_b [4.2565]
_cell_length_c [4.2565]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1224378 | Ge(SbTe)4 | data_[Ge1Sb4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3342]
_cell_length_b [4.3342]
_cell_length_c [17.3673]
_... |
mp-13351 | RbUAgSe3 | data_[Rb4U4Ag4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
U 1.3800 1.7500 0.9913
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2758]
_cell_length_b [15.4... |
mp-1220703 | NaY(MoO4)2 | data_[Na2Y2Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.2810]
_cell_length_b [5.2810]... |
mp-17324 | ZrSnS3 | data_[Zr4Sn4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5725]
_cell_length_b [3.7539]
_cell_length_c [14.1517]
_ce... |
mp-1112960 | CsInF3 | data_[Cs8In8F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.5780]
_cell_length_b [9.5780]
_cell_length_c [9.5780]
_ce... |
mp-16376 | HoSbPt | data_[Ho4Sb4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5963]
_cell_length_b [6.5963]
_cell_length_c [6.5963]
_c... |
mp-1699 | AlCr2 | data_[Al2Cr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.9584]
_cell_length_b [2.9584]
_cell_length_c [8.6454]
_cell_angle_alpha [90.0000]
_cell... |
mp-22889 | ZnCl2 | data_[Zn4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.5759]
_cell_length_b [8.0950]
_cell_length_c [6.3577]
_cell_angle_alpha [90.0000]
_cell... |
mp-1225151 | EuV2BiO8 | data_[Eu2V4Bi2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.3647]
_cell_length_b [7.364... |
mp-20490 | NdNiSn | data_[Nd4Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4509]
_cell_length_b [4.6015]
_cell_length_c [7.7002]
_ce... |
mp-759433 | Li3CuF5 | data_[Li12Cu4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8480]
_cell_length_b [5.9742]
_cell_length_c [6.8189]
_c... |
mp-2763 | Nd2O3 | data_[Nd2O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8601]
_cell_length_b [3.8601]
_cell_length_c [6.0912]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1189208 | Cu5(PO6)2 | data_[Cu5P2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5718]
_cell_length_b [5.7438]
_cell_length_c [8.4270]
_cell_a... |
mp-1189887 | Dy3Os | data_[Dy12Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3852]
_cell_length_b [9.0983]
_cell_length_c [6.3316]
_cell_angle_alpha [90.0000]
_cell_... |
mp-510580 | NdNiSnH | data_[Nd4Ni4Sn4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2442]
_cell_length_b [4.385... |
mp-1087546 | O2 | data_[O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9404]
_cell_length_b [9.1312]
_cell_length_c [4.5009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7505]
_cell_angle_... |
mp-540938 | Pb5(IF4)2 | data_[Pb15I6F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3393]
_cell_length_b [4.3393]
_cell_length_c [58.3937]
_cell... |
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