Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-224 | WS2 | data_[W2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1907]
_cell_length_b [3.1907]
_cell_length_c [14.2024]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1208738 | Tb12Ni6Pb | data_[Tb24Ni12Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.7697]
_cell_length_b [9.7697]
_cell_length_c [9.7697]
_... |
mp-21301 | ScInNi2 | data_[Sc4In4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2790]
_cell_length_b [6.2790]
_cell_length_c [6.2790]
_c... |
mp-973174 | NaAg3 | data_[Na2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2419]
_cell_length_b [4.2419]
_cell_length_c [8.5948]
_cell_angle_alpha [90.0000]
_cell... |
mp-30338 | Y3Al | data_[Y3Al1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7834]
_cell_length_b [4.7834]
_cell_length_c [4.7834]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1102147 | Sc(P2Rh3)2 | data_[Sc1P4Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [7.0090]
_cell_length_b [7.0090]
_cell_length_c [3.6763]
_cell_... |
mp-1221393 | MoWC2 | data_[Mo1W1C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8423]
_cell_length_b [2.9303]
_cell_length_c [5.0617]
_cell_a... |
mp-1520731 | Ba2GdBiO6 | data_[Ba8Gd4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [Fm-3m]
_cell_length_a [8.7693]
_cell_length_b [8.7... |
mp-22696 | NdInCu | data_[Nd3In3Cu3]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5992]
_cell_length_b [7.5992]
_cell_length_c [4.1010]
_c... |
mp-676250 | Bi2Te4Pb | data_[Bi6Te12Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5143]
_cell_length_b [4.5143]
_cell_length_c [42.5865]
_... |
mp-1223991 | Ho2VPO8 | data_[Ho4V2P2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.0830]
_cell_length_b [7.0830]... |
mp-1211404 | La5Pb3Cl | data_[La10Pb6Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.7879]
_cell_length_b [9.7879]
_cell_length_c [6.9261... |
mp-1189328 | TiNi | data_[Ti15Ni15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2506]
_cell_length_b [7.2506]
_cell_length_c [5.3905]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1224573 | GdY3(FeO3)4 | data_[Gd1Y3Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3568]
_cell_length_b [7.7311]
... |
mp-645166 | Tb(GaFe)6 | data_[Tb2Ga12Fe12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1478]
_cell_length_b [8.6337]
_cell_length_c [8.8260]
_... |
mp-865334 | Lu2NiOs | data_[Lu8Ni4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6431]
_cell_length_b [6.6431]
_cell_length_c [6.6431]
_c... |
mvc-16029 | Ca(TiS2)2 | data_[Ca2Ti4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5845]
_cell_length_b [3.5462]
_cell_length_c [5.9786]
_cel... |
mp-11501 | MnNi3 | data_[Mn1Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.5606]
_cell_length_b [3.5606]
_cell_length_c [3.5606]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1095149 | LiLaBi2 | data_[Li2La2Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5580]
_cell_length_b [4.5580]
_cell_length_c [11.0820]
... |
mp-12072 | UAu2 | data_[U1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8792]
_cell_length_b [4.8792]
_cell_length_c [3.0150]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-19413 | AlWO4 | data_[Al4W4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2510]
_cell_length_b [5.8124]
_cell_length_c [4.6311]
_cell_... |
mp-1226932 | CdCu2GeSe4 | data_[Cd2Cu4Ge2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.6670]
_cell_length_b [7.045... |
mp-1218592 | Sr3In3Ga2 | data_[Sr12In12Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9209]
_cell_length_b [11.8016]
_cell_length_c [16.4016]... |
mp-1079643 | TaMnGe | data_[Ta3Mn3Ge3]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.5564]
_cell_length_b [6.5564]
_cell_length_c [3.6160]
_c... |
mp-1024985 | ErAlGe | data_[Er4Al4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0571]
_cell_length_b [10.3597]
_cell_length_c [5.7318]
_c... |
mp-866020 | YbSmHg2 | data_[Yb4Sm4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sm 1.1700 1.8500 1.2290
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5331]
_cell_length_b [7.5331]
_cell_length_c [7.5331]
_c... |
mp-972049 | Tb(AlC)3 | data_[Tb2Al6C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4423]
_cell_length_b [3.4423]
_cell_length_c [17.3895]
... |
mp-550685 | Ba2CaTeO6 | data_[Ba8Ca4Te4O24]
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
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5086]
_cell_length_b [8.5... |
mp-1207101 | KMnSe2 | data_[K2Mn2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9677]
_cell_length_b [3.9677]
_cell_length_c [13.7529]
_ce... |
mp-30496 | SrCd | data_[Sr1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0816]
_cell_length_b [4.0816]
_cell_length_c [4.0816]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1228413 | Ba2La(CuO2)3 | data_[Ba2La1Cu3O6]
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 [3.9538]
_cell_length_b [3.9... |
mp-1205556 | Ba2NdReO6 | data_[Ba8Nd4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6251]
_cell_length_b [8.6... |
mp-1186564 | Pm3Gd | data_[Pm6Gd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Gd 1.2000 1.8000 1.0750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1407]
_cell_length_b [5.1407]
_cell_length_c [10.3386]
_cell_angle_alpha [90.0000]
_cel... |
mp-1018679 | DyTe2 | data_[Dy2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4400]
_cell_length_b [4.4400]
_cell_length_c [8.8867]
_cell_angle_alpha [90.0000]
_cell... |
mp-12972 | Zr6Sb2Pt | data_[Zr6Sb2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8855]
_cell_length_b [7.8855]
_cell_length_c [3.7154]
_c... |
mp-770688 | Li4CrO5 | data_[Li16Cr4O20]
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 [C2/c]
_cell_length_a [8.7556]
_cell_length_b [5.8305]
_cell_length_c [7.9161]
_ce... |
mp-37091 | Sr(AlTe2)2 | data_[Sr2Al4Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [8.4337]
_cell_length_b [8.4337]
_cell_length_c [6.7327]
_ce... |
mp-1227887 | Ca3MgNi14 | data_[Ca9Mg3Ni42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9880]
_cell_length_b [4.9880]
_cell_length_c [35.8656]
_c... |
mp-1207065 | Ba2TbTaO6 | data_[Ba8Tb4Ta4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
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 [8.5600]
_cell_length_b [8.5... |
mp-10032 | Ge2Os | data_[Ge8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1029]
_cell_length_b [3.1326]
_cell_length_c [7.7702]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-645286 | Gd(Co2B)6 | data_[Gd3Co36B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3933]
_cell_length_b [9.3933]
_cell_length_c [7.3934]
_ce... |
mp-1103835 | Lu(MnSn)6 | data_[Lu1Mn6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4425]
_cell_length_b [5.4425]
_cell_length_c [8.9985]
_... |
mp-1077988 | Mn2B4W | data_[Mn4B8W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0224]
_cell_length_b [3.0952]
_cell_length_c [12.8748]
_cell_... |
mp-865785 | YbHfIr2 | data_[Yb4Hf4Ir8]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5992]
_cell_length_b [6.5992]
_cell_length_c [6.5992]
_c... |
mp-1104250 | Dy2FeC4 | data_[Dy8Fe4C16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.4691]
_cell_length_b [9.6131]
_cell_length_c [5.0241]
_cel... |
mp-1206597 | CeAlSi | data_[Ce4Al4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.2038]
_cell_length_b [4.2038]
_cell_length_c [14.6550]
... |
mp-1103555 | VCoGe | data_[V4Co4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0606]
_cell_length_b [3.6612]
_cell_length_c [6.9901]
_cell... |
mp-1089 | TiIr3 | data_[Ti1Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8785]
_cell_length_b [3.8785]
_cell_length_c [3.8785]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753447 | LiMn(SiO3)2 | data_[Li4Mn4Si8O24]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0410]
_cell_length_b [8.8... |
mp-504752 | Fe3BO5 | data_[Fe6B2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.5878]
_cell_length_b [3.1043]
_cell_length_c [10.7973]
_cell... |
mp-2534 | GaAs | data_[Ga4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7502]
_cell_length_b [5.7502]
_cell_length_c [5.7502]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1213068 | CuTeSeI | data_[Cu4Te4Se4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4639]
_cell_length_b [4.8... |
mp-1225076 | Er2AlCu | data_[Er2Al1Cu1]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4019]
_cell_length_b [3.4019]
_cell_length_c [7.4691]
_... |
mp-1218991 | SmZnCuP2 | data_[Sm1Zn1Cu1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0349]
_cell_length_b [4.034... |
mp-1217691 | Tb3DyAl8 | data_[Tb9Dy3Al24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5735]
_cell_length_b [5.5735]
_cell_length_c [27.3051]
_c... |
mp-1232424 | PmGdMg2 | data_[Pm4Gd4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Gd 1.2000 1.8000 1.0750
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7310]
_cell_length_b [7.7310]
_cell_length_c [7.7310]
_c... |
mp-1063670 | PbSe | data_[Pb4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3343]
_cell_length_b [12.2615]
_cell_length_c [4.4971]
_cell_angle_alpha [90.0000]
_cell_... |
mp-643009 | SrMgH4 | data_[Sr4Mg4H16]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9539]
_cell_length_b [13.5441]
_cell_length_c [5.6137]
_... |
mp-1205906 | KMnIO6 | data_[K1Mn1I1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.8775
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.1280]
_cell_length_b [5.1280]
_... |
mp-1216570 | TmAgTe2 | data_[Tm1Ag1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4531]
_cell_length_b [4.4531]
_cell_length_c [7.3912]
_ce... |
mp-1005752 | Sm3In | data_[Sm6In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.0759]
_cell_length_b [7.0759]
_cell_length_c [5.5379]
_cell_angle_alpha [90.0000]
_ce... |
mp-862604 | Re3Ni | data_[Re6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4273]
_cell_length_b [5.4273]
_cell_length_c [4.3804]
_cell_angle_alpha [90.0000]
_ce... |
mp-1222641 | Li3Nb4CuO12 | data_[Li3Nb4Cu1O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2302]
_cell_length_b [5.6185... |
mp-758091 | LiVF4 | data_[Li4V4F16]
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 [I4_1/a]
_cell_length_a [4.9690]
_cell_length_b [4.9690]
_cell_length_c [9.9674]
_cel... |
mp-1221062 | NaNd3Ti3MnO12 | data_[Na1Nd3Ti3Mn1O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a... |
mp-675577 | Mn(InTe2)2 | data_[Mn2In4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.3140]
_cell_length_b [6.3140]
_cell_length_c [12.5609]
_... |
mp-20618 | Y2Co3Si5 | data_[Y8Co12Si20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.5268]
_cell_length_b [11.2701]
_cell_length_c [5.5397]
_c... |
mp-1217278 | Th2Si3Pt | data_[Th4Si6Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2051]
_cell_length_b [4.2407]
_cell_length_c [14.1412]
_c... |
mp-1186563 | PmEr3 | data_[Pm2Er6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0162]
_cell_length_b [5.0162]
_cell_length_c [10.0242]
_cell_angle_alpha [90.0000]
_cel... |
mp-555098 | SrSeO3 | data_[Sr4Se4O12]
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 [Pnma]
_cell_length_a [12.7634]
_cell_length_b [5.5809]
_cell_length_c [4.4978]
_ce... |
mp-10902 | PrAl | data_[Pr1Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7538]
_cell_length_b [3.7538]
_cell_length_c [3.7538]
_cell_angle_alpha [90.0000]
_cell_... |
mp-10614 | SrLiP | data_[Sr1Li1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2955]
_cell_length_b [4.2955]
_cell_length_c [4.2581]
_cel... |
mp-1220961 | NaPdF3 | data_[Na4Pd4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7980]
_cell_length_b [6.9029]
_cell_length_c [7.5182]
_cell... |
mp-1220364 | Nb6SiSn | data_[Nb6Si1Sn1]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [5.2370]
_cell_length_b [5.2370]
_cell_length_c [5.2370]
_ce... |
mp-1222761 | LaPrC4 | data_[La1Pr1C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9154]
_cell_length_b [3.9154]
_cell_length_c [6.5537]
_ce... |
mp-1188211 | U2Si5Ru3 | data_[U8Si20Ru12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1650]
_cell_length_b [11.8058]
_cell_length_c [5.7087]
_... |
mp-546190 | Ag2O3 | data_[Ag16O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.6950]
_cell_length_b [13.1421]
_cell_length_c [3.7830]
_cell_angle_alpha [90.0000]
_cell... |
mp-1227532 | BaSrLuBiO6 | data_[Ba2Sr2Lu2Bi2O12]
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
Lu 1.2700 1.7500 1.0010
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a... |
mp-34011 | Ca(HoS2)2 | data_[Ca4Ho8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.3490]
_cell_length_b [8.3490]
_cell_length_c [8.3576]
_ce... |
mp-1179404 | SmAgAs2 | data_[Sm4Ag4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [21.2289]
_cell_length_b [4.0173]
_cell_length_c [4.0392]
_c... |
mp-30595 | CuSnRh2 | data_[Cu4Sn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2250]
_cell_length_b [6.2250]
_cell_length_c [6.2250]
_c... |
mp-1105752 | CaCd2Pd | data_[Ca4Cd8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0547]
_cell_length_b [8.1888]
_cell_length_c [5.6317]
_ce... |
mp-1025105 | LuAlGe | data_[Lu4Al4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0368]
_cell_length_b [10.2366]
_cell_length_c [5.6729]
_c... |
mp-1183697 | CdRh2Pb | data_[Cd4Rh8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6011]
_cell_length_b [6.6011]
_cell_length_c [6.6011]
_c... |
mp-7824 | K2ReF6 | data_[K2Re1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Re 1.9000 1.3500 0.7125
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9753]
_cell_length_b [5.9753]
_cell_length_c [4.6956]
_cell_... |
mp-753655 | LiTi2Mn3O10 | data_[Li1Ti2Mn3O10]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0214]
_cell_length_b [5.0853... |
mp-1239238 | HfCrAgS4 | data_[Hf2Cr2Ag2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [6.1704]
_cell_length_b [7.1316]... |
mp-1077994 | SiSnPd5 | data_[Si1Sn1Pd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0203]
_cell_length_b [4.0203]
_cell_length_c [6.9983]
_... |
mp-1222193 | Mg4CuNi | data_[Mg12Cu3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [5.2758]
_cell_length_b [5.2758]
_cell_length_c [13.2299]... |
mp-1223088 | La4Cu4Se3SO4 | data_[La4Cu4Se3S1O4]
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-6017 | Na3In(PO4)2 | data_[Na6In2P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7727]
_cell_length_b [5.5364... |
mp-11263 | Zr3Au | data_[Zr6Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.5380]
_cell_length_b [5.5380]
_cell_length_c [5.5380]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225128 | EuGa3Ag | data_[Eu2Ga6Ag2]
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 [I-4m2]
_cell_length_a [4.3899]
_cell_length_b [4.3899]
_cell_length_c [10.9477]
_... |
mp-1207068 | BaDyFeCuO5 | data_[Ba1Dy1Fe1Cu1O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_... |
mp-1112997 | Cs2NaAlCl6 | data_[Cs8Na4Al4Cl24]
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
Al 1.6100 1.2500 0.6750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4552]
_cell_length_b [... |
mp-1094465 | Mg2Zn | data_[Mg8Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8560]
_cell_length_b [3.0950]
_cell_length_c [15.8530]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1095672 | Ta2V3Si | data_[Ta4V6Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9514]
_cell_length_b [4.9514]
_cell_length_c [8.3715]
_... |
mp-1060435 | TiH | data_[Ti4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.1887]
_cell_length_b [4.1887]
_cell_length_c [4.1887]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1384 | LaIr5 | data_[La1Ir5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3907]
_cell_length_b [5.3907]
_cell_length_c [4.3310]
_cell_angle_alpha [90.0000]
_cell... |
mp-776951 | LiMnF3 | data_[Li4Mn4F12]
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 [Pnma]
_cell_length_a [5.4532]
_cell_length_b [7.7246]
_cell_length_c [5.1236]
_cel... |
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