Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-36100 | Ca(SmS2)2 | data_[Ca4Sm8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.4892]
_cell_length_b [8.4892]
_cell_length_c [8.5271]
_ce... |
mp-563025 | Na6PbO5 | data_[Na12Pb2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.8286]
_cell_length_b [7.8286]
_cell_length_c [6.0221]
_ce... |
mvc-16768 | Mg(TiS2)2 | data_[Mg4Ti8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1297]
_cell_length_b [7.1337]
_cell_length_c [9.9666]
_cel... |
mp-1206555 | Dy2CdCu2 | data_[Dy4Cd2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6300]
_cell_length_b [7.6300]
_cell_length_c [3.6516]
_... |
mp-5493 | PrSi2Ni | data_[Pr4Si8Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1691]
_cell_length_b [16.4680]
_cell_length_c [4.0661]
_c... |
mp-9244 | LiBC | data_[Li2B2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.7491]
_cell_length_b [2.7491]
_cell_length_c [7.0197]
_ce... |
mp-632172 | H2 | data_[H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4568]
_cell_length_b [4.4568]
_cell_length_c [3.1479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-1176417 | MnTeO3 | data_[Mn4Te4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2081]
_cell_length_b [7.8794]
_cell_length_c [5.5027]
_cel... |
mp-7550 | CeNbO4 | data_[Ce4Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1894]
_cell_length_b [11.4064]
_cell_length_c [5.2033]
_ce... |
mp-24411 | K2LiAlH6 | data_[K8Li4Al4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8182]
_cell_length_b [7.818... |
mp-10264 | NiTe | data_[Ni6Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8567]
_cell_length_b [3.8567]
_cell_length_c [20.0930]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1181137 | GdFe5 | data_[Gd1Fe5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0843]
_cell_length_b [5.0843]
_cell_length_c [3.9214]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206386 | Mg(Co2Ge3)2 | data_[Mg2Co8Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.1701]
_cell_length_b [6.1701]
_cell_length_c [8.6927]
_... |
mvc-14327 | ZnCoF5 | data_[Zn4Co8F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6073]
_cell_length_b [6.2244]
_cell_length_c [7.4987]
_cell_... |
mp-643002 | Mg2H6Os | data_[Mg8H24Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6803]
_cell_length_b [6.6803]
_cell_length_c [6.6803]
_ce... |
mp-1212843 | DyF3 | data_[Dy4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2351]
_cell_length_b [6.9056]
_cell_length_c [4.7859]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1178549 | AlVO3 | data_[Al6V6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.9612]
_cell_length_b [4.9612]
_cell_length_c [13.6704]
_cell_... |
mp-1207274 | LiGaIr | data_[Li2Ga2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0764]
_cell_length_b [4.0764]
_cell_length_c [5.5151]... |
mp-1183115 | AcAlO3 | data_[Ac1Al1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8857]
_cell_length_b [3.8857]
_cell_length_c [3.8857]
_cel... |
mp-10470 | NbSiRh | data_[Nb4Si4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4534]
_cell_length_b [3.7775]
_cell_length_c [7.3679]
_ce... |
mp-1095694 | Ag2S | data_[Ag8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.4316]
_cell_length_b [7.0032]
_cell_length_c [7.3039]
_cell_angle_alpha [90.0000]
_ce... |
mp-715262 | FeO | data_[Fe2O2]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.2042]
_cell_length_b [3.2042]
_cell_length_c [4.1668]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-567909 | Pr(NiSn)2 | data_[Pr2Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4364]
_cell_length_b [4.4364]
_cell_length_c [10.5439]
... |
mp-1245429 | MgZrN2 | data_[Mg4Zr4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.4940]
_cell_length_b [4.4940]
_cell_length_c [9.2586]
_... |
mp-1174375 | Li5Mn2CoO8 | data_[Li5Mn2Co1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9801]
_cell_length_b [5.1268]... |
mp-1018811 | NbGeSb | data_[Nb2Ge2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7492]
_cell_length_b [3.7492]
_cell_length_c [8.2951]
_... |
mp-1223967 | Hg2I3Br | data_[Hg4I6Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5091]
_cell_length_b [5.2013]
_cell_length_c [14.0707]
_cell_... |
mp-1078664 | Pr2Mn2Se2O3 | data_[Pr4Mn4Se4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1709]
_cell_length_b [4.1... |
mp-1173925 | Li3Mn(CoO3)2 | data_[Li6Mn2Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0388]
_cell_length_b [8.89... |
mp-1219957 | Pr2Co16Cu | data_[Pr6Co48Cu3]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4410]
_cell_length_b [8.4410]
_cell_length_c [12.1122]
_c... |
mp-1224413 | H3Pd4 | data_[H9Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9066]
_cell_length_b [2.9066]
_cell_length_c [28.3548]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1104238 | Tm3Ga8Ir3 | data_[Tm6Ga16Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1877]
_cell_length_b [9.9567]
_cell_length_c [12.1773]
_... |
mp-1220502 | Nb5Ir7 | data_[Nb5Ir7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8537]
_cell_length_b [13.7739]
_cell_length_c [4.8629]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1188285 | HoGa3 | data_[Ho4Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.1556]
_cell_length_b [6.1556]
_cell_length_c [9.5299]
_cell_angle_alpha [90.0000]
_c... |
mp-761891 | Li3Ti4O8 | data_[Li6Ti8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1704]
_cell_length_b [8.3758]
_cell_length_c [5.8260]
_cel... |
mp-2960 | HfSnRh | data_[Hf6Sn6Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62c]
_cell_length_a [7.3885]
_cell_length_b [7.3885]
_cell_length_c [7.2416]
_c... |
mp-867219 | Sr2GaGeN | data_[Sr4Ga2Ge2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9618]
_cell_length_b [4.1... |
mp-1519183 | KSrCeNbO6 | data_[K4Sr4Ce4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-1219629 | RbCoCuF6 | data_[Rb4Co4Cu4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2389]
_cell_length_b [7.35... |
mp-1080683 | CsEuS2 | data_[Cs2Eu2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2665]
_cell_length_b [4.2665]
_cell_length_c [16.0265]
... |
mp-569151 | MnGaPt | data_[Mn2Ga2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3513]
_cell_length_b [4.3513]
_cell_length_c [5.5487]... |
mp-1187679 | TmInPt2 | data_[Tm4In4Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7447]
_cell_length_b [6.7447]
_cell_length_c [6.7447]
_c... |
mp-753231 | Li2V4O3F8 | data_[Li2V4O3F8]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1485]
_cell_length_b [6.5951]
_c... |
mp-1208400 | Ti5MnSn3 | data_[Ti10Mn2Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.2524]
_cell_length_b [8.2524]
_cell_length_c [5.4864... |
mp-4539 | Ho(CuGe)2 | data_[Ho2Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0356]
_cell_length_b [4.0356]
_cell_length_c [10.3571]
... |
mp-1114486 | RbInCl3 | data_[Rb8In8Cl24]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0916]
_cell_length_b [11.0916]
_cell_length_c [11.0916... |
mp-1208759 | Sr2NdTaO6 | data_[Sr4Nd2Ta2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8970]
_cell_length_b [6.... |
mp-867301 | Tb2MgGe2 | data_[Tb4Mg2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2947]
_cell_length_b [7.2947]
_cell_length_c [4.2789]
_... |
mp-1215554 | Zr2FeCo3 | data_[Zr6Fe3Co9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0032]
_cell_length_b [5.0032]
_cell_length_c [11.8333]
_c... |
mp-1225312 | DyCoNi | data_[Dy4Co4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.9913]
_cell_length_b [5.0183]
_cell_length_c [7.1603]
_ce... |
mp-1215623 | ZnFe4CoO8 | data_[Zn4Fe16Co4O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.5436]
_cell_length_b [8.... |
mp-978101 | PrFeGe2 | data_[Pr4Fe4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3316]
_cell_length_b [16.4645]
_cell_length_c [4.3472]
_c... |
mp-25352 | LiNiO2 | data_[Li1Ni1O2]
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 [P3m1]
_cell_length_a [2.9410]
_cell_length_b [2.9410]
_cell_length_c [5.0024]
_cell... |
mp-1076863 | Ba2Fe2O5 | data_[Ba8Fe8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [16.3947]
_cell_length_b [5.9160]
_cell_length_c [5.8073]
_ce... |
mp-755893 | CaBiO3 | data_[Ca4Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8065]
_cell_length_b [6.0644]
_cell_length_c [10.2275]
_... |
mp-12107 | TiPt3 | data_[Ti1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9520]
_cell_length_b [3.9520]
_cell_length_c [3.9520]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1221520 | MnZnCdTe3 | data_[Mn2Zn2Cd2Te6]
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
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.5082]
_cell_length_b [4.5... |
mp-1225147 | Fe4Ni4PdS8 | data_[Fe16Ni16Pd4S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.0713]
_cell_length_b [... |
mp-1223046 | LaMnFeGe2 | data_[La2Mn2Fe2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1106]
_cell_length_b [4.... |
mp-1220879 | NaSbSe2 | data_[Na3Sb3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1545]
_cell_length_b [4.1545]
_cell_length_c [21.2596]
_c... |
mp-3570 | NdPPd | data_[Nd2P2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2435]
_cell_length_b [4.2435]
_cell_length_c [7.8627]
_... |
mp-568823 | YbAu3 | data_[Yb2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.0758]
_cell_length_b [5.8301]
_cell_length_c [5.3380]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-10928 | BaC2(SN)2 | data_[Ba4C8S8N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7739]
_cell_length_b [6.8179]
... |
mp-1221957 | MgIn | data_[Mg2In2]
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 [C2/m]
_cell_length_a [5.7106]
_cell_length_b [3.5196]
_cell_length_c [5.1363]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1185995 | MnPd2Au | data_[Mn4Pd8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3646]
_cell_length_b [6.3646]
_cell_length_c [6.3646]
_c... |
mp-1519060 | BaSrDySbO6 | data_[Ba4Sr4Dy4Sb4O24]
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
Dy 1.2200 1.7500 1.1310
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-768828 | Li3Cr3CuO8 | data_[Li9Cr9Cu3O24]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8821]
_cell_length_b [5.88... |
mp-1219755 | Rb2Cr(BrCl)2 | data_[Rb8Cr4Br8Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.1014]
_cell_length_b [7.... |
mp-997031 | MgCuO2 | data_[Mg4Cu4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.1044]
_cell_length_b [8.3116]
_cell_length_c [3.0651]
_cell... |
mp-1025151 | Cr2NiSe4 | data_[Cr4Ni2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6695]
_cell_length_b [3.6070]
_cell_length_c [6.2938]
_c... |
mp-1183236 | AcYb3 | data_[Ac4Yb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6768]
_cell_length_b [8.6768]
_cell_length_c [8.6768]
_cell_angle_alpha [90.0000]
_cell... |
mp-19098 | Ba2CaWO6 | data_[Ba4Ca2W2O12]
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
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 [10.4445]
_cell_length_b [6.019... |
mp-3901 | NdNbO4 | data_[Nd4Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4270]
_cell_length_b [11.5132]
_cell_length_c [5.2798]
_ce... |
mp-972607 | SmHo3 | data_[Sm2Ho6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0241]
_cell_length_b [5.0241]
_cell_length_c [10.0619]
_cell_angle_alpha [90.0000]
_cel... |
mp-27976 | SmBr3 | data_[Sm4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0521]
_cell_length_b [14.3140]
_cell_length_c [9.2424]
_cell_angle_alpha [90.0000]
_cell... |
mp-23861 | BaHCl | data_[Ba2H2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4353]
_cell_length_b [4.4353]
_cell_length_c [7.3147]
_ce... |
mp-1224243 | HfU(NbC2)2 | data_[Hf3U3Nb6C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
U 1.3800 1.7500 0.9913
Nb 1.6000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2532]
_cell_length_b [3.2532]... |
mp-1100995 | TlCu7S4 | data_[Tl1Cu7S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8390]
_cell_length_b [7.4279]
_cell_length_c [7.4471]
_cell_a... |
mp-1096845 | BaAgO2 | data_[Ba4Ag4O8]
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 [C2/m]
_cell_length_a [7.6451]
_cell_length_b [10.0161]
_cell_length_c [3.9174]
_cel... |
mp-989601 | LaWN3 | data_[La3W3N9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7025]
_cell_length_b [5.7025]
_cell_length_c [7.0626]
_cell_an... |
mp-1221197 | Na4Eu(GeSe3)2 | data_[Na8Eu2Ge4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.2205]
_cell_length_b [12.4... |
mp-861617 | LaHgAu2 | data_[La4Hg4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2604]
_cell_length_b [7.2604]
_cell_length_c [7.2604]
_c... |
mp-1227986 | BaAl2(SiO4)2 | data_[Ba1Al2Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4187]
_cell_length_b [5.41... |
mp-1516644 | Sr2TbNbO6 | data_[Sr8Tb4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tb 1.1000 1.7500 0.9815
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4656]
_cell_length_b [8.4... |
mp-772052 | CdSeO4 | data_[Cd2Se2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.8205]
_cell_length_b [4.9679]
_cell_length_c [5.0203]
_ce... |
mp-756218 | LiVCrO4 | data_[Li4V4Cr4O16]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.9711]
_cell_length_b [6.0126... |
mp-29083 | NaErCl4 | data_[Na2Er2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.4451]
_cell_length_b [7.7261]
_cell_length_c [6.8035]
_ce... |
mp-1247066 | Mg2VCr3S8 | data_[Mg6V3Cr9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2389]
_cell_length_b [7.2389... |
mp-1218852 | Sr2CaSn5 | data_[Sr8Ca4Sn20]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.5330]
_cell_length_b [8.5976]
_cell_length_c [10.8713]
... |
mp-1229164 | Cs(ThSe3)2 | data_[Cs2Th4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Th 1.3000 1.8000 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2504]
_cell_length_b [5.5749]
_cell_length_c [24.3610]
_... |
mp-1101770 | TmRu2 | data_[Tm4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2443]
_cell_length_b [5.2443]
_cell_length_c [8.8715]
_cell_angle_alpha [90.0000]
_ce... |
mp-19804 | In2Co3S2 | data_[In6Co9S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3332]
_cell_length_b [5.3332]
_cell_length_c [13.6428]
_cel... |
mp-470 | GeO2 | data_[Ge2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.4842]
_cell_length_b [4.4842]
_cell_length_c [2.9080]
_cell_angle_alpha [90.0000]
_cell... |
mp-1415 | CaSe | data_[Ca4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9647]
_cell_length_b [5.9647]
_cell_length_c [5.9647]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23475 | Rb2PbCl6 | data_[Rb8Pb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5197]
_cell_length_b [10.5197]
_cell_length_c [10.5197... |
mp-1239363 | Ba2YCo3O8 | data_[Ba2Y1Co3O8]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9140]
_cell_length_b [3.914... |
mp-1212683 | EuMgAg | data_[Eu4Mg4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7489]
_cell_length_b [4.6086]
_cell_length_c [8.9224]
_ce... |
mp-1087 | SrS | data_[Sr4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0635]
_cell_length_b [6.0635]
_cell_length_c [6.0635]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1691 | La2Ni3 | data_[La8Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.0318]
_cell_length_b [9.6532]
_cell_length_c [7.9031]
_cell_angle_alpha [90.0000]
_cell_... |
mp-9956 | AlCr2C | data_[Al2Cr4C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.8430]
_cell_length_b [2.8430]
_cell_length_c [12.7080]
... |
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