Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1078265 | Cs2YbCl4 | data_[Cs4Yb2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Yb 1.1000 1.7500 1.0840
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4043]
_cell_length_b [5.4043]
_cell_length_c [17.4145]
... |
mp-30487 | EuCd2 | data_[Eu4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1084]
_cell_length_b [7.9021]
_cell_length_c [8.4632]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1210509 | Pr12Co6Pb | data_[Pr24Co12Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.1995]
_cell_length_b [10.1995]
_cell_length_c [10.1995... |
mp-21402 | PrCr2Si2C | data_[Pr1Cr2Si2C1]
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
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0159]
_cell_length_b [4.0... |
mp-1520670 | BaCaDyBiO6 | data_[Ba2Ca2Dy2Bi2O12]
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
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1064554 | BiRh | data_[Bi2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1765]
_cell_length_b [4.1765]
_cell_length_c [5.7503]
_cell_angle_alpha [90.0000]
_ce... |
mp-866214 | LuBr3 | data_[Lu2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [10.4703]
_cell_length_b [10.4703]
_cell_length_c [3.6491]
_cell_angle_alpha [90.0000]
_... |
mp-1103732 | Yb(H2N)2 | data_[Yb4H16N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.1130]
_cell_length_b [5.1130]
_cell_length_c [10.1365]
_... |
mp-1224783 | GdDyNi2 | data_[Gd3Dy3Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4650]
_cell_length_b [4.2372]
_cell_length_c [10.6879]
_cel... |
mp-1215420 | Zr3TaFe8 | data_[Zr9Ta3Fe24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9312]
_cell_length_b [4.9312]
_cell_length_c [24.1848]
_c... |
mp-22718 | TbInAu | data_[Tb3In3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7733]
_cell_length_b [7.7733]
_cell_length_c [4.0362]
_c... |
mp-1246609 | Mn2NiN2 | data_[Mn4Ni2N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [2.8509]
_cell_length_b [11.6449]
_cell_length_c [2.8553]
_cel... |
mp-756869 | K2TbO3 | data_[K8Tb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tb 1.1000 1.7500 0.9815
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0195]
_cell_length_b [7.0413]
_cell_length_c [6.1865]
_ce... |
mp-1210665 | Lu5Ru2 | data_[Lu20Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3963]
_cell_length_b [6.1747]
_cell_length_c [7.1872]
_cell_angle_alpha [90.0000]
_cell... |
mp-1027143 | MoWSeS3 | data_[Mo2W2Se2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2225]
_cell_length_b [3.2225]... |
mp-1185479 | Lu3Sc | data_[Lu6Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.9446]
_cell_length_b [6.9446]
_cell_length_c [5.4151]
_cell_angle_alpha [90.0000]
_ce... |
mp-1206260 | ThSiGe | data_[Th4Si4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.0828]
_cell_length_b [4.0828]
_cell_length_c [15.7064]
... |
mp-1078709 | Na2BiAu | data_[Na8Bi4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.5811]
_cell_length_b [7.6348]
_cell_length_c [6.0669]
_ce... |
mp-1518389 | SrEuNbCrO6 | data_[Sr4Eu4Nb4Cr4O24]
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
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-976793 | LiEr2Ga | data_[Li4Er8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1419]
_cell_length_b [7.1419]
_cell_length_c [7.1419]
_c... |
mp-1114685 | Rb2TiTlF6 | data_[Rb8Ti4Tl4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.3056]
_cell_length_b [9.3... |
mp-865181 | EuGeO3 | data_[Eu1Ge1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9002]
_cell_length_b [3.9002]
_cell_length_c [3.9002]
_cel... |
mp-1525 | CeTe | data_[Ce4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3400]
_cell_length_b [6.3400]
_cell_length_c [6.3400]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1025554 | PrSi2Ag | data_[Pr4Si8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2890]
_cell_length_b [17.6461]
_cell_length_c [4.2498]
_c... |
mp-1223866 | In2Te3 | data_[In4Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4742]
_cell_length_b [13.4136]
_cell_length_c [6.4487]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184039 | Eu2PdAu | data_[Eu8Pd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4123]
_cell_length_b [7.4123]
_cell_length_c [7.4123]
_c... |
mp-2074 | Li3Sb | data_[Li12Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5618]
_cell_length_b [6.5618]
_cell_length_c [6.5618]
_cell_angle_alpha [90.0000]
_cell... |
mp-998712 | TlGeF3 | data_[Tl1Ge1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7204]
_cell_length_b [4.7318]
_cell_length_c [4.8598]
_cell_a... |
mp-19311 | V2CoO6 | data_[V4Co2O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6199]
_cell_length_b [3.5851]
_cell_length_c [6.9115]
_cell_... |
mp-558860 | Ba2YFe3O8 | data_[Ba2Y1Fe3O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [P4/mmm]
_cell_length_a [3.9685]
_cell_length_b [3.968... |
mp-1111182 | K3AsCl6 | data_[K12As4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [10.9492]
_cell_length_b [10.9492]
_cell_length_c [10.9492]... |
mp-1184844 | K3Na | data_[K3Na1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.3048]
_cell_length_b [6.3048]
_cell_length_c [6.3048]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-863676 | Pm2CuSn | data_[Pm8Cu4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4616]
_cell_length_b [7.4616]
_cell_length_c [7.4616]
_c... |
mp-1226857 | Ce2FeRu3 | data_[Ce6Fe3Ru9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Fe 1.8300 1.4000 0.8525
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4866]
_cell_length_b [5.4866]
_cell_length_c [11.9082]
_c... |
mp-7961 | Sr3SnO | data_[Sr3Sn1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1826]
_cell_length_b [5.1826]
_cell_length_c [5.1826]
_cel... |
mp-1080794 | TbPRu2C | data_[Tb4P4Ru8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8040]
_cell_length_b [11.0280... |
mp-2612 | GeTe | data_[Ge4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0086]
_cell_length_b [6.0086]
_cell_length_c [6.0086]
_cell_angle_alpha [90.0000]
_cell_... |
mp-634059 | H4CSN2 | data_[H8C2S2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [8.5288]
_cell_length_b [5.4976]
_... |
mp-1223886 | HoBeCu4 | data_[Ho1Be1Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.0242]
_cell_length_b [5.0242]
_cell_length_c [3.8920]
_c... |
mp-11261 | YAu | data_[Y1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6156]
_cell_length_b [3.6156]
_cell_length_c [3.6156]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1186778 | SrYbEu2 | data_[Sr4Yb4Eu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Yb 1.1000 1.7500 1.0840
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9663]
_cell_length_b [8.9663]
_cell_length_c [8.9663]
_c... |
mp-978283 | Mg3In | data_[Mg6In2]
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 [I4/mmm]
_cell_length_a [4.5484]
_cell_length_b [4.5484]
_cell_length_c [8.9288]
_cell_angle_alpha [90.0000]
_cell... |
mp-3416 | Na3AlF6 | data_[Na6Al2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4728]
_cell_length_b [5.6811]
_cell_length_c [9.5817]
_c... |
mp-1105554 | Tm2ReC2 | data_[Tm8Re4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Re 1.9000 1.3500 0.7125
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5167]
_cell_length_b [5.0364]
_cell_length_c [9.7290]
_cell... |
mp-28875 | Hg2P3Cl | data_[Hg8P12Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0146]
_cell_length_b [8.9728]
_cell_length_c [7.7800]
_cel... |
mp-867326 | Al2RuRh | data_[Al8Ru4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0066]
_cell_length_b [6.0066]
_cell_length_c [6.0066]
_c... |
mp-1212462 | Hf5MnSb2 | data_[Hf20Mn4Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mn 1.5500 1.4000 0.8775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.9723]
_cell_length_b [10.9723]
_cell_length_c [5.5830... |
mp-25301 | Ti(SiO3)2 | data_[Ti4Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [9.7564]
_cell_length_b [8.8367]
_cell_length_c [5.3656]
_cel... |
mp-21503 | YMgIn | data_[Y3Mg3In3]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5516]
_cell_length_b [7.5516]
_cell_length_c [4.6872]
_cel... |
mp-863743 | Pm2SiAg | data_[Pm8Si4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3312]
_cell_length_b [7.3312]
_cell_length_c [7.3312]
_c... |
mp-4810 | Pr(CoGe)2 | data_[Pr2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0364]
_cell_length_b [4.0364]
_cell_length_c [10.3848]
... |
mp-1519936 | Ba2TbCeO6 | data_[Ba8Tb4Ce4O24]
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
Ce 1.1200 1.8500 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8911]
_cell_length_b [8.8... |
mp-582433 | Gd(NiAs)2 | data_[Gd2Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0531]
_cell_length_b [4.0531]
_cell_length_c [9.9693]
_... |
mp-865424 | CsUO3 | data_[Cs1U1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4154]
_cell_length_b [4.4154]
_cell_length_c [4.4154]
_cell_... |
mp-755620 | MnCo5O12 | data_[Mn2Co10O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9211]
_cell_length_b [8.5382]
_cell_length_c [9.4827]
_ce... |
mp-555021 | TePbO3 | data_[Te4Pb4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_1]
_cell_length_a [5.4307]
_cell_length_b [5.4307]
_cell_length_c [12.1769]
_ce... |
mp-1219896 | Pr3MgNi14 | data_[Pr9Mg3Ni42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9855]
_cell_length_b [4.9855]
_cell_length_c [36.1880]
_c... |
mp-1078762 | RbCu4Se3 | data_[Rb1Cu4Se3]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0536]
_cell_length_b [4.0536]
_cell_length_c [10.0504]
... |
mp-1228170 | Al5AgS8 | data_[Al20Ag4S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.1839]
_cell_length_b [10.1839]
_cell_length_c [10.1839]... |
mp-1279318 | Li3FeO4 | data_[Li12Fe4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Aea2]
_cell_length_a [5.7704]
_cell_length_b [5.7783]
_cell_length_c [8.6649]
_ce... |
mp-1571 | PrPd3 | data_[Pr1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2275]
_cell_length_b [4.2275]
_cell_length_c [4.2275]
_cell_angle_alpha [90.0000]
_cell_... |
mp-996990 | BaAgO2 | data_[Ba1Ag1O2]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3345]
_cell_length_b [4.3345]
_cell_length_c [3.7359]
_ce... |
mp-1105761 | Ca3Hg | data_[Ca12Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9706]
_cell_length_b [10.2918]
_cell_length_c [6.9483]
_cell_angle_alpha [90.0000]
_cell... |
mp-1221533 | MnZn4S5 | data_[Mn2Zn8S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.8746]
_cell_length_b [3.8746]
_cell_length_c [31.7094]
_ce... |
mp-867862 | SmMgAg2 | data_[Sm4Mg4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1088]
_cell_length_b [7.1088]
_cell_length_c [7.1088]
_c... |
mp-1183111 | Ac3Ho | data_[Ac6Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.8270]
_cell_length_b [7.8270]
_cell_length_c [6.3378]
_cell_angle_alpha [90.0000]
_ce... |
mp-755445 | Li2CuPO4 | data_[Li4Cu2P2O8]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.0522]
_cell_length_b [6.1571]
_... |
mp-9194 | SmCuSeO | data_[Sm2Cu2Se2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9702]
_cell_length_b [3.9... |
mp-1079295 | ErSi | data_[Er4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8105]
_cell_length_b [3.8168]
_cell_length_c [5.6509]
_cell_angle_alpha [90.0000]
_cell_a... |
mvc-11360 | BiOF | data_[Bi2O2F2]
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]
_cell_length_a [4.0055]
_cell_length_b [4.0145]
_cell_length_c [5.8350]
_cell_a... |
mp-20602 | U(FeGe)2 | data_[U2Fe4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0321]
_cell_length_b [4.0321]
_cell_length_c [9.5188]
_ce... |
mp-9126 | Sr(SbO3)2 | data_[Sr1Sb2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [5.3535]
_cell_length_b [5.3535]
_cell_length_c [5.4635]
_cel... |
mp-866228 | CaDyHg2 | data_[Ca4Dy4Hg8]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4972]
_cell_length_b [7.4972]
_cell_length_c [7.4972]
_c... |
mp-753016 | V3O5F | data_[V3O5F1]
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 [4.9987]
_cell_length_b [5.1301]
_cell_length_c [5.4471]
_cell_angle... |
mp-24853 | BaNdCo2O5 | data_[Ba1Nd1Co2O5]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9030]
_cell_length_b [4.018... |
mp-1226771 | CdAg2Sn3S8 | data_[Cd3Ag6Sn9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6879]
_cell_length_b [7.68... |
mp-30731 | HoSnPd2 | data_[Ho4Sn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7836]
_cell_length_b [6.7836]
_cell_length_c [6.7836]
_c... |
mp-1025313 | TiGa5Ni | data_[Ti1Ga5Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1410]
_cell_length_b [4.1410]
_cell_length_c [6.4255]
_... |
mp-1219859 | Pr2FeSi2Ru | data_[Pr2Fe1Si2Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1609]
_cell_length_b [4.... |
mp-554089 | SiO2 | data_[Si4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.0837]
_cell_length_b [7.0418]
_cell_length_c [5.0665]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1188505 | TbMoC2 | data_[Tb4Mo4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7184]
_cell_length_b [3.4160]
_cell_length_c [10.8156]
_cel... |
mp-1224247 | HfZrN2 | data_[Hf3Zr3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2238]
_cell_length_b [3.2238]
_cell_length_c [16.0172]
_cel... |
mp-975666 | PrBrO | data_[Pr2Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1005]
_cell_length_b [4.1005]
_cell_length_c [7.6677]
_ce... |
mp-1225036 | Gd(AlCu)6 | data_[Gd2Al12Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0879]
_cell_length_b [8.5998]
_cell_length_c [8.7125]
_... |
mp-642807 | TbH2Br | data_[Tb6H12Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7852]
_cell_length_b [3.7852]
_cell_length_c [31.3664]
_ce... |
mp-1189634 | Ga3Ir | data_[Ga12Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.5543]
_cell_length_b [6.5543]
_cell_length_c [6.7873]
_cell_angle_alpha [90.0000]
_c... |
mp-1120728 | GaSeCl | data_[Ga4Se4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.6611]
_cell_length_b [15.6932]
_cell_length_c [3.8611]
_c... |
mp-762863 | Fe3OF5 | data_[Fe12O4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.8649]
_cell_length_b [20.3972]
_cell_length_c [3.1805]
_cel... |
mp-752745 | Li4MnCr(WO6)2 | data_[Li4Mn1Cr1W2O12]
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
Cr 1.6600 1.4000 0.9400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [... |
mp-1226656 | CeCu2SiGe | data_[Ce2Cu4Si2Ge2]
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
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1284]
_cell_length_b [4.1... |
mp-755853 | Hg(BiO3)2 | data_[Hg2Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.0832]
_cell_length_b [5.0832]
_cell_length_c [10.5015]... |
mp-5773 | BaRuO3 | data_[Ba9Ru9O27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8315]
_cell_length_b [5.8315]
_cell_length_c [21.9244]
_ce... |
mp-20358 | UInAu2 | data_[U4In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0719]
_cell_length_b [7.0719]
_cell_length_c [7.0719]
_cel... |
mp-7038 | TlPd2Se3 | data_[Tl2Pd4Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.5244]
_cell_length_b [7.5244]
_cell_length_c [6.0337]
_c... |
mp-1186481 | Pm2NiPd | data_[Pm8Ni4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0993]
_cell_length_b [7.0993]
_cell_length_c [7.0993]
_c... |
mp-1224579 | Hf10NiSb5 | data_[Hf20Ni2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [11.0000]
_cell_length_b [11.0000]
_cell_length_c [5.5644]... |
mp-1226476 | CeUO4 | data_[Ce1U1O4]
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 [P4/mmm]
_cell_length_a [3.8355]
_cell_length_b [3.8355]
_cell_length_c [5.4748]
_cell... |
mp-4364 | NbGaCo2 | data_[Nb4Ga4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9729]
_cell_length_b [5.9729]
_cell_length_c [5.9729]
_c... |
mp-30946 | Ga2PdI8 | data_[Ga4Pd2I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4929]
_cell_length_b [9.3719]
_cell_length_c [8.0992]
_ce... |
mp-754504 | LiMn3CrO8 | data_[Li2Mn6Cr2O16]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1499]
_cell_length_b [5.8... |
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