Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1218042 | TaCo4Mo | data_[Ta2Co8Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7211]
_cell_length_b [4.7211]
_cell_length_c [7.7009]
_c... |
mp-1274195 | YCoO3 | data_[Y4Co4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2772]
_cell_length_b [5.7073]
_cell_length_c [7.5354]
_cell_a... |
mp-27891 | Bi2SO2 | data_[Bi4S2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [3.9087]
_cell_length_b [12.0958]
_cell_length_c [3.8751]
_cell_... |
mp-1702 | LaRh2 | data_[La8Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.7182]
_cell_length_b [7.7182]
_cell_length_c [7.7182]
_cell_angle_alpha [90.0000]
_cell... |
mp-28488 | CuPtF6 | data_[Cu2Pt2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0285]
_cell_length_b [5.0446]
_cell_length_c [9.7281]
_cell... |
mp-1218240 | SrLa2(CuO3)2 | data_[Sr2La4Cu4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
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 [I4/mmm]
_cell_length_a [3.8784]
_cell_length_b [3.... |
mp-1078801 | CsI | data_[Cs2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5701]
_cell_length_b [7.9098]
_cell_length_c [5.5486]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1542604 | MnZnF6 | data_[Mn3Zn3F18]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2617]
_cell_length_b [5.2617]
_cell_length_c [13.3973]
_cel... |
mp-867901 | ScTaTc2 | data_[Sc4Ta4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4172]
_cell_length_b [6.4172]
_cell_length_c [6.4172]
_c... |
mp-1183625 | CaYbIn2 | data_[Ca4Yb4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6846]
_cell_length_b [7.6846]
_cell_length_c [7.6846]
_c... |
mp-22470 | La(FeAs3)4 | data_[La2Fe8As24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.3631]
_cell_length_b [8.3631]
_cell_length_c [8.3631]
_c... |
mp-1183788 | DyHo3 | data_[Dy1Ho3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9856]
_cell_length_b [4.9856]
_cell_length_c [4.9856]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1206347 | La4Co2Sn5 | data_[La8Co4Sn10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3351]
_cell_length_b [4.6428]
_cell_length_c [11.1581]
... |
mp-1228752 | Al4Cu15 | data_[Al4Cu15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [3.6088]
_cell_length_b [3.6088]
_cell_length_c [18.4562]
_cell_angle_alpha [90.0000]
_ce... |
mp-181 | KGa3 | data_[K6Ga18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.3588]
_cell_length_b [6.3588]
_cell_length_c [14.9669]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1189524 | Tb6IrBr10 | data_[Tb6Ir1Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ir 2.2000 1.3500 0.7650
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4125]
_cell_length_b [9.2307]
_cell_length_c [9.2342]
_ce... |
mp-1068243 | Lu2InNi2 | data_[Lu4In2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8876]
_cell_length_b [14.0749]
_cell_length_c [3.5619]
_c... |
mvc-13150 | Ca(FeO2)2 | data_[Ca8Fe16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.9027]
_cell_length_b [8.9027]
_cell_length_c [8.9027]
_c... |
mp-977376 | TbCdAu2 | data_[Tb4Cd4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0099]
_cell_length_b [7.0099]
_cell_length_c [7.0099]
_c... |
mp-626735 | BaH4O3 | data_[Ba2H8O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1762]
_cell_length_b [6.4395]
_cell_length_c [7.2069]
_cell_ang... |
mp-1517108 | BaSmEuWO6 | data_[Ba2Sm2Eu2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a ... |
mp-1303200 | NaNi2O3 | data_[Na4Ni8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.3426]
_cell_length_b [8.8924]
_cell_length_c [5.3586]
_cell_... |
mp-780243 | Li5Ti2Cu3O10 | data_[Li5Ti2Cu3O10]
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
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0997]
_cell_length_b [5.553... |
mp-12856 | Pr(AlSi)2 | data_[Pr1Al2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2521]
_cell_length_b [4.2521]
_cell_length_c [6.8623]
_c... |
mp-550908 | SrHfO3 | data_[Sr2Hf2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.7771]
_cell_length_b [5.7771]
_cell_length_c [4.1730]
_ce... |
mp-2000 | CuSe2 | data_[Cu2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.0421]
_cell_length_b [6.2186]
_cell_length_c [3.8110]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1185071 | LaNdMg2 | data_[La4Nd4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8454]
_cell_length_b [7.8454]
_cell_length_c [7.8454]
_c... |
mp-1113717 | Rb2AgMoCl6 | data_[Rb8Ag4Mo4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4128]
_cell_length_b [... |
mp-1104047 | Al4Tc | data_[Al24Tc6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.2005]
_cell_length_b [17.6026]
_cell_length_c [5.1703]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-14304 | Lu2MgS4 | data_[Lu16Mg8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.9943]
_cell_length_b [10.9943]
_cell_length_c [10.9943]... |
mp-30922 | Ho6CoBi2 | data_[Ho6Co1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.3622]
_cell_length_b [8.3622]
_cell_length_c [4.0761]
_c... |
mp-568191 | SrLuCuSe3 | data_[Sr4Lu4Cu4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0594]
_cell_length_b [13... |
mp-569471 | UB2C | data_[U2B4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.0114]
_cell_length_b [3.5058]
_cell_length_c [4.1015]
_cell_ang... |
mp-1206445 | ReW3 | data_[Re2W6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.0548]
_cell_length_b [5.0548]
_cell_length_c [5.0548]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-867110 | Sc2CoOs | data_[Sc8Co4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3714]
_cell_length_b [6.3714]
_cell_length_c [6.3714]
_c... |
mp-1211407 | La3Ni3Bi4 | data_[La12Ni12Bi16]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.9710]
_cell_length_b [9.9710]
_cell_length_c [9.9710]... |
mp-20983 | V2InC | data_[V4In2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0250]
_cell_length_b [3.0250]
_cell_length_c [13.6092]
_c... |
mp-13406 | LaAgPb | data_[La2Ag2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.9558]
_cell_length_b [4.9558]
_cell_length_c [7.9203]
_... |
mp-17236 | Ba(Ni2B)6 | data_[Ba3Ni36B18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.6765]
_cell_length_b [9.6765]
_cell_length_c [7.4570]
_ce... |
mp-1027302 | Te2Mo3W(SeS2)2 | data_[Te2Mo3W1Se2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a ... |
mp-13170 | KNaGdNbO5 | data_[K2Na2Gd2Nb2O10]
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
Gd 1.2000 1.8000 1.0750
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length... |
mp-23969 | ZnH2SeO5 | data_[Zn4H8Se4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0686]
_cell_length_b [8.2173... |
mp-1213692 | CsAg3Te2 | data_[Cs4Ag12Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8279]
_cell_length_b [4.6909]
_cell_length_c [9.6415]
_... |
mp-867371 | K2Y4Cu4Se9 | data_[K4Y8Cu8Se18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3584]
_cell_length_b [4.123... |
mp-1103550 | NdGaNi | data_[Nd4Ga4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0893]
_cell_length_b [4.3663]
_cell_length_c [7.4846]
_ce... |
mp-1225733 | Cu6SnGe | data_[Cu6Sn1Ge1]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2735]
_cell_length_b [5.5417]
_cell_length_c [4.6384]
_ce... |
mp-755340 | Tb2SeO2 | data_[Tb2Se1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8735]
_cell_length_b [3.8735]
_cell_length_c [6.8713]
_cel... |
mp-1216295 | VRe11B4 | data_[V2Re22B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [14.6333]
_cell_length_b [2.9332]
_cell_length_c [9.3453]
_cell... |
mp-1207399 | Zr3Tl2(CuSe4)2 | data_[Zr6Tl4Cu4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8864]
_cell_length_b [3... |
mp-21025 | Nd2Cu2O5 | data_[Nd4Cu4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.7247]
_cell_length_b [10.1523]
_cell_length_c [3.7903]
_ce... |
mp-1247228 | LuMgMnS4 | data_[Lu4Mg4Mn4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5469]
_cell_length_b [7.66... |
mp-669556 | Pu5Pt3 | data_[Pu10Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.5200]
_cell_length_b [8.5200]
_cell_length_c [6.0223]
_cell_angle_alpha [90.0000]
_c... |
mp-1095502 | TaCoGe | data_[Ta4Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3279]
_cell_length_b [3.7431]
_cell_length_c [7.1644]
_ce... |
mp-1216837 | Tl2FeCu3S4 | data_[Tl2Fe1Cu3S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.8384]
_cell_length_b [3.83... |
mp-1218364 | SrCaTi2O6 | data_[Sr4Ca4Ti8O24]
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
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.7917]
_cell_length_b [7.89... |
mp-1237608 | UBr4(NO2)2 | data_[U1Br4N2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2438]
_cell_length_b [7.0940]
_c... |
mp-1112219 | K2CuSbCl6 | data_[K8Cu4Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3534]
_cell_length_b [10... |
mp-1114605 | Rb2TlAsI6 | data_[Rb8Tl4As4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.3407]
_cell_length_b [12... |
mp-1223019 | LaC2 | data_[La2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9982]
_cell_length_b [4.8701]
_cell_length_c [5.4411]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-849768 | Li3CrCo3O8 | data_[Li9Cr3Co9O24]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6909]
_cell_length_b [5.69... |
mp-11231 | YAl3 | data_[Y1Al3]
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 [4.2622]
_cell_length_b [4.2622]
_cell_length_c [4.2622]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1209075 | RbYbZnTe3 | data_[Rb4Yb4Zn4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Yb 1.1000 1.7500 1.0840
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2730]
_cell_length_b [17... |
mp-30612 | Er7Rh3 | data_[Er14Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.7295]
_cell_length_b [9.7295]
_cell_length_c [6.1131]
_cell_angle_alpha [90.0000]
_cel... |
mp-777840 | LiFe(SiO3)2 | data_[Li4Fe4Si8O24]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.4473]
_cell_length_b [7.3549... |
mp-1111140 | K3NiF6 | data_[K12Ni4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7547]
_cell_length_b [8.7547]
_cell_length_c [8.7547]
_cel... |
mp-1228160 | Ba3P4O13 | data_[Ba3P4O13]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7771]
_cell_length_b [7.3639]
_cell_length_c [8.2038]
_cell_an... |
mp-757238 | GdAsO4 | data_[Gd2As2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8487]
_cell_length_b [7.1994]
_cell_length_c [4.8490]
_ce... |
mp-1220517 | Nb4Co(CS2)2 | data_[Nb4Co1C2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7392]
_cell_length_b [3.3347]... |
mp-642644 | V2H | data_[V4H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.4430]
_cell_length_b [2.9514]
_cell_length_c [4.4436]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-1095472 | ZrGeIr | data_[Zr4Ge4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6258]
_cell_length_b [4.0785]
_cell_length_c [7.6032]
_ce... |
mp-1225403 | Dy(CuSe)3 | data_[Dy6Cu18Se18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9954]
_cell_length_b [6.9954]
_cell_length_c [19.6842]
_... |
mp-1187402 | ThAlCu2 | data_[Th4Al4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6510]
_cell_length_b [6.6510]
_cell_length_c [6.6510]
_c... |
mp-12058 | Er(PRu)2 | data_[Er2P4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0530]
_cell_length_b [4.0530]
_cell_length_c [9.5006]
_ce... |
mp-1209823 | Ni2PPd | data_[Ni8P4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4723]
_cell_length_b [8.4732]
_cell_length_c [6.5572]
_cell... |
mp-978857 | SrHgO2 | data_[Sr3Hg3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8998]
_cell_length_b [3.8998]
_cell_length_c [19.2441]
_cel... |
mp-1105932 | Li2MgSi | data_[Li8Mg4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [6.3673]
_cell_length_b [6.3673]
_cell_length_c [6.3673]
_c... |
mp-1101261 | VCr2O6 | data_[V2Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P4_2/mnm]
_cell_length_a [4.5533]
_cell_length_b [4.5533]
_cell_length_c [8.8567]
_c... |
mp-1218854 | Sr2CeYCu2RuO10 | data_[Sr4Ce2Y2Cu4Ru2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_grou... |
mp-1216930 | TiFe5O8 | data_[Ti3Fe15O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0672]
_cell_length_b [6.0672]
_cell_length_c [14.9658]
_c... |
mp-1216439 | V6CoNi | data_[V6Co1Ni1]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [4.6511]
_cell_length_b [4.6511]
_cell_length_c [4.6511]
_cell... |
mp-8479 | Tl4SiS4 | data_[Tl16Si4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [12.9769]
_cell_length_b [11.7632]
_cell_length_c [7.8076]
_ce... |
mp-27496 | YUO4 | data_[Y1U1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [3.7880]
_cell_length_b [3.7880]
_cell_length_c [5.3870]
_cell_a... |
mp-23083 | KAs4BrO6 | data_[K1As4Br1O6]
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
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3471]
_cell_length_b [5.347... |
mp-867500 | PuI2 | data_[Pu2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.7922]
_cell_length_b [7.7922]
_cell_length_c [4.5750]
_cell_angle_alpha [90.0000]
_cell... |
mp-615314 | ScCoC2 | data_[Sc2Co2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.3672]
_cell_length_b [3.3672]
_cell_length_c [7.1676]
_ce... |
mp-1222955 | LaPrCr2O6 | data_[La2Pr2Cr4O12]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [7.8830]
_cell_length_b [5.... |
mp-1095546 | ReO2 | data_[Re4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6035]
_cell_length_b [4.8811]
_cell_length_c [5.6622]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1400 | HfW2 | data_[Hf8W16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.6269]
_cell_length_b [7.6269]
_cell_length_c [7.6269]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1216116 | Y2ZrWO8 | data_[Y4Zr2W2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.2951]
_cell_length_b [5.2951]
_... |
mp-1214857 | AuCl4 | data_[Au4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [9.9568]
_cell_length_b [9.9568]
_cell_length_c [17.0373]
_cell_angle_alpha [90.0000]
_... |
mp-1217655 | Tb4Ni3Ge8 | data_[Tb4Ni3Ge8]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1098]
_cell_length_b [4.1174]
_cell_length_c [16.6496]
_c... |
mp-20794 | Sr2NiWO6 | data_[Sr4Ni2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.6302]
_cell_length_b [5.6302... |
mp-1216723 | U4B3C5 | data_[U4B3C5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2283]
_cell_length_b [3.6572]
_cell_length_c [11.8423]
_cell_an... |
mp-1831 | SrAu5 | data_[Sr1Au5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.7253]
_cell_length_b [5.7253]
_cell_length_c [4.6751]
_cell_angle_alpha [90.0000]
_cell... |
mp-675526 | FeCoAs | data_[Fe6Co6As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5899]
_cell_length_b [10.3584]
_cell_length_c [6.0220]
_c... |
mp-1103033 | SrMgPt | data_[Sr4Mg4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6224]
_cell_length_b [4.4680]
_cell_length_c [8.6406]
_ce... |
mp-1183190 | AcZn2In | data_[Ac4Zn8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3270]
_cell_length_b [7.3270]
_cell_length_c [7.3270]
_c... |
mp-21234 | EuZnSi | data_[Eu2Zn2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2717]
_cell_length_b [4.2717]
_cell_length_c [8.4353]... |
mp-6782 | Li2ZrTeO6 | data_[Li6Zr3Te3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2458]
_cell_length_b [5.2458... |
mvc-14096 | Cu3(GeO3)4 | data_[Cu6Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.2404]
_cell_length_b [7.2404]
_cell_length_c [7.2404]
_cel... |
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