Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1459 | TaN | data_[Ta1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9540]
_cell_length_b [2.9540]
_cell_length_c [2.9015]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1218541 | Sr3CaSn16 | data_[Sr6Ca2Sn32]
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 [Imm2]
_cell_length_a [4.7595]
_cell_length_b [14.1279]
_cell_length_c [17.3960]
... |
mp-755788 | TlCoO3 | data_[Tl6Co6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2291]
_cell_length_b [5.2291]
_cell_length_c [14.8104]
_cel... |
mp-31049 | NdO2 | data_[Nd4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7514]
_cell_length_b [4.0534]
_cell_length_c [6.5571]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1103893 | Lu2MnSe4 | data_[Lu16Mn8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.4406]
_cell_length_b [11.4406]
_cell_length_c [11.440... |
mp-1185878 | MgHg2 | data_[Mg4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7968]
_cell_length_b [3.5129]
_cell_length_c [7.1063]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186236 | Nd2CdAg | data_[Nd8Cd4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6215]
_cell_length_b [7.6215]
_cell_length_c [7.6215]
_c... |
mp-1223884 | In4AsP3 | data_[In8As2P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2553]
_cell_length_b [8.5093]
_cell_length_c [12.0160]
_cel... |
mp-1095479 | GdS2 | data_[Gd4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9941]
_cell_length_b [3.9447]
_cell_length_c [7.8863]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1104267 | Lu(Fe2Ge)2 | data_[Lu2Fe8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.0174]
_cell_length_b [7.2936]
_cell_length_c [3.8986]
_ce... |
mvc-11598 | NiS2 | data_[Ni3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3430]
_cell_length_b [3.3430]
_cell_length_c [21.2754]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-9462 | CsTeSe3 | data_[Cs4Te4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7116]
_cell_length_b [6.8673]
_cell_length_c [13.8164]... |
mp-21443 | Ce2Pd2Pb | data_[Ce4Pd4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.9508]
_cell_length_b [7.9508]
_cell_length_c [3.7789]
_... |
mp-1220984 | NaNdTi2O6 | data_[Na2Nd2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7353]
_cell_length_b [5.... |
mp-1218387 | Sr2TiRuO6 | data_[Sr2Ti1Ru1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9474]
_cell_length_b [3.9... |
mp-21286 | MnCoGe | data_[Mn4Co4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8118]
_cell_length_b [3.7989]
_cell_length_c [7.0570]
_ce... |
mp-5335 | U2PdS4 | data_[U16Pd8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.6306]
_cell_length_b [13.1944]
_cell_length_c [8.2322]
_ce... |
mp-989513 | SrWN3 | data_[Sr4W4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5353]
_cell_length_b [3.8300]
_cell_length_c [6.7131]
_cell... |
mp-1084832 | Fe5Co3 | data_[Fe10Co6]
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
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [5.5418]
_cell_length_b [5.5418]
_cell_length_c [5.5418]
_cell_angle_alpha [90.0000]
_cell... |
mp-2614 | HfAl3 | data_[Hf2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9494]
_cell_length_b [3.9494]
_cell_length_c [8.9157]
_cell_angle_alpha [90.0000]
_cell... |
mp-1220432 | Nd2TiCuO6 | data_[Nd4Ti2Cu2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
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 [P2_1/c]
_cell_length_a [5.5017]
_cell_length_b [5.... |
mp-1189705 | Ta9(CoS3)2 | data_[Ta9Co2S6]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [10.3279]
_cell_length_b [10.3279]
_cell_length_c [3.3277]
_c... |
mp-1185755 | Mg2CdHg | data_[Mg8Cd4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9814]
_cell_length_b [6.9814]
_cell_length_c [6.9814]
_c... |
mp-989625 | SrWN3 | data_[Sr2W2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6944]
_cell_length_b [6.4031]
_cell_length_c [6.7244]
_cell_ang... |
mp-5223 | GdAlO3 | data_[Gd4Al4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3711]
_cell_length_b [7.5106]
_cell_length_c [5.2846]
_cel... |
mp-754977 | LiFeO2 | data_[Li2Fe2O4]
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 [P6_3mc]
_cell_length_a [2.9757]
_cell_length_b [2.9757]
_cell_length_c [10.0795]
_c... |
mp-1217916 | TaTiGaO6 | data_[Ta2Ti2Ga2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.6783]
_cell_length_b [4.... |
mp-1238793 | Cs2HfBr6 | data_[Cs8Hf4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hf 1.3000 1.5500 0.8500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1440]
_cell_length_b [11.1440]
_cell_length_c [11.1440... |
mvc-12168 | Ca2MnWO6 | data_[Ca2Mn1W1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.8775
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6273]
_cell_length_b [5.6350]
_... |
mp-765385 | LiV(CO3)2 | data_[Li2V2C4O12]
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
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.2054]
_cell_length_b [4.7613]
... |
mp-11277 | ScBe5 | data_[Sc1Be5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.5173]
_cell_length_b [4.5173]
_cell_length_c [3.5277]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186548 | PmBi3 | data_[Pm2Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8335]
_cell_length_b [6.8335]
_cell_length_c [6.2099]
_cell_angle_alpha [90.0000]
_ce... |
mp-1078089 | Pd3(PbSe)2 | data_[Pd9Pb6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0751]
_cell_length_b [6.0751]
_cell_length_c [14.8061]
_c... |
mp-1296751 | Li2VCrO4 | data_[Li8V4Cr4O16]
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 [Cm]
_cell_length_a [9.7744]
_cell_length_b [4.0709]
... |
mp-1024964 | PrSbPd | data_[Pr2Sb2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.6503]
_cell_length_b [4.6503]
_cell_length_c [7.9434]
_... |
mp-16453 | BaCe2ZnS5 | data_[Ba4Ce8Zn4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8713]
_cell_length_b [7.... |
mp-1186297 | NdDyZn2 | data_[Nd4Dy4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2498]
_cell_length_b [7.2498]
_cell_length_c [7.2498]
_c... |
mp-15846 | Lu5SbPd2 | data_[Lu20Sb4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.5634]
_cell_length_b [7.5634]
_cell_length_c [13.5326]... |
mp-1217078 | Ti2CoNi | data_[Ti2Co1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9894]
_cell_length_b [2.9894]
_cell_length_c [5.9810]
_... |
mp-1009460 | Hf | data_[Hf3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0036]
_cell_length_b [5.0036]
_cell_length_c [3.0873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-2434 | SrTl | data_[Sr1Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1167]
_cell_length_b [4.1167]
_cell_length_c [4.1167]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1113044 | Cs2KLaCl6 | data_[Cs8K4La4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
La 1.1000 1.9500 1.1720
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.6235]
_cell_length_b [11... |
mp-22787 | Fe2Si | data_[Fe4Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9294]
_cell_length_b [3.9294]
_cell_length_c [4.8397]
_cell_angle_alpha [90.0000]
_cell_... |
mp-754458 | Li3Cu(NiO3)2 | data_[Li6Cu2Ni4O12]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3879]
_cell_length_b [2.9... |
mp-19414 | K3CrO4 | data_[K6Cr2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.1442]
_cell_length_b [6.1442]
_cell_length_c [8.5087]
_cell_... |
mp-1213969 | CaHfTlF7 | data_[Ca4Hf4Tl4F28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hf 1.3000 1.5500 0.8500
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.9573]
_cell_length_b [11.3... |
mp-30735 | Ho5Sn3 | data_[Ho10Sn6]
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
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.9251]
_cell_length_b [8.9251]
_cell_length_c [6.5305]
_cell_angle_alpha [90.0000]
_c... |
mp-1114094 | Rb2InAgF6 | data_[Rb8In4Ag4F24]
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
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1070]
_cell_length_b [9.1... |
mp-849371 | CdSnO3 | data_[Cd4Sn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6779]
_cell_length_b [8.0357]
_cell_length_c [5.5540]
_cel... |
mp-10731 | Ba2PrSbO6 | data_[Ba8Pr4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7123]
_cell_length_b [8.7... |
mp-1520529 | Ba2YWO6 | data_[Ba8Y4W4O24]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5117]
_cell_length_b [8.5117]... |
mp-10284 | YSi3Ni | data_[Y4Si12Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9404]
_cell_length_b [21.0458]
_cell_length_c [3.9588]
_ce... |
mp-1518455 | NaSrZrSbO6 | data_[Na4Sr4Zr4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
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-1104027 | Y(CrGe)6 | data_[Y1Cr6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1141]
_cell_length_b [5.1141]
_cell_length_c [8.3237]
_ce... |
mp-640566 | Yb8Si11 | data_[Yb16Si22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4141]
_cell_length_b [7.7462]
_cell_length_c [24.5214]
_cell_angle_alpha [90.0000]
_cel... |
mp-1185253 | LiTl3 | data_[Li2Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7018]
_cell_length_b [4.7018]
_cell_length_c [10.0340]
_cell_angle_alpha [90.0000]
_cel... |
mp-1212314 | Ho3Co2Si7 | data_[Ho6Co4Si14]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0327]
_cell_length_b [3.9761]
_cell_length_c [24.5111]
_... |
mp-560562 | Rb2CrF6 | data_[Rb8Cr4F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7305]
_cell_length_b [8.7305]
_cell_length_c [8.7305]
_ce... |
mp-752860 | Mn3O5F | data_[Mn12O20F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9061]
_cell_length_b [6.3126]
_cell_length_c [7.2487]
_cell... |
mp-1206883 | K2CoF6 | data_[K8Co4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3644]
_cell_length_b [8.3644]
_cell_length_c [8.3644]
_cell... |
mp-865778 | Lu5Rh3 | data_[Lu10Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.1101]
_cell_length_b [8.1101]
_cell_length_c [6.1582]
_cell_angle_alpha [90.0000]
_c... |
mp-1185397 | LiNdAu2 | data_[Li4Nd4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0760]
_cell_length_b [7.0760]
_cell_length_c [7.0760]
_c... |
mp-1103683 | TmWClO4 | data_[Tm2W2Cl2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0513]
_cell_length_b [6.5662]
... |
mp-1079311 | Nd(PRh)2 | data_[Nd2P4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1751]
_cell_length_b [4.1751]
_cell_length_c [9.6138]
_ce... |
mp-16313 | TbSbPt | data_[Tb4Sb4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6338]
_cell_length_b [6.6338]
_cell_length_c [6.6338]
_c... |
mp-22607 | Zn(InSe2)2 | data_[Zn2In4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.8243]
_cell_length_b [5.8243]
_cell_length_c [11.7131]
_ce... |
mp-1106047 | Mg2CoB2Ir5 | data_[Mg4Co2B4Ir10]
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
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.4469]
_cell_length_b [9.... |
mp-1228115 | Ba3SrCa2(WO6)2 | data_[Ba3Sr1Ca2W2O12]
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
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 [P1]
_cell_length_a [... |
mp-1219418 | Sc3Ga5Co | data_[Sc6Ga10Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1322]
_cell_length_b [11.9170]
_cell_length_c [6.3373]
_... |
mp-1223052 | La2ZnBi4 | data_[La2Zn1Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6389]
_cell_length_b [4.6389]
_cell_length_c [10.2501]
_... |
mvc-1623 | MgTa2O6 | data_[Mg2Ta4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6087]
_cell_length_b [5.5110]
_cell_length_c [5.2295]
_c... |
mp-9918 | LiGe | data_[Li16Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [9.8578]
_cell_length_b [9.8578]
_cell_length_c [5.7825]
_cell_angle_alpha [90.0000]
_ce... |
mp-1102669 | ErGaPt | data_[Er4Ga4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8378]
_cell_length_b [4.4391]
_cell_length_c [7.6637]
_ce... |
mp-753263 | Li3Cr2CuO6 | data_[Li6Cr4Cu2O12]
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 [C2/m]
_cell_length_a [12.8491]
_cell_length_b [2.9... |
mp-1185866 | MgGa3 | data_[Mg2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3113]
_cell_length_b [4.3113]
_cell_length_c [8.1036]
_cell_angle_alpha [90.0000]
_cell... |
mp-1283030 | FeO | data_[Fe4O4]
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 [C2/c]
_cell_length_a [5.4856]
_cell_length_b [3.0845]
_cell_length_c [5.4666]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1120721 | RbGeBr3 | data_[Rb2Ge2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2447]
_cell_length_b [7.6595]
_cell_length_c [8.7613]
_... |
mp-1103044 | Sn2Rh | data_[Sn16Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.4389]
_cell_length_b [6.4161]
_cell_length_c [6.4103]
_cell_angle_alpha [90.0000]
_cell... |
mp-1188299 | TmSiPd2 | data_[Tm4Si4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2852]
_cell_length_b [6.9846]
_cell_length_c [5.5089]
_ce... |
mp-1229012 | AgPd | data_[Ag3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8713]
_cell_length_b [2.8713]
_cell_length_c [13.9817]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215950 | YB4W3 | data_[Y1B4W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1286]
_cell_length_b [3.2302]
_cell_length_c [9.4517]
_cell_ang... |
mp-8610 | Li8PtO6 | data_[Li24Pt3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4875]
_cell_length_b [5.4875]
_cell_length_c [15.1618]
_ce... |
mp-1247023 | Mg2Mn3VS8 | data_[Mg6Mn9V3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2621]
_cell_length_b [7.2621... |
mp-1106111 | Ni5Ge3 | data_[Ni20Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.8882]
_cell_length_b [6.7216]
_cell_length_c [6.3650]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183069 | Ac | data_[Ac9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0128]
_cell_length_b [4.0128]
_cell_length_c [28.9874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-682 | NaF | data_[Na4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.6962]
_cell_length_b [4.6962]
_cell_length_c [4.6962]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1002081 | KNaICl | data_[K1Na1I1Cl1]
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
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5104]
_cell_length_b [4.510... |
mp-1206263 | TmMgAg | data_[Tm3Mg3Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7047]
_cell_length_b [7.7047]
_cell_length_c [4.0506]
_c... |
mp-1072255 | ScNi4Au | data_[Sc4Ni16Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8242]
_cell_length_b [6.8242]
_cell_length_c [6.8242]
_... |
mp-760402 | TaRhO4 | data_[Ta4Rh4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.7714]
_cell_length_b [6.7714]
_cell_length_c [6.0855]
_c... |
mp-13350 | RbUAgS3 | data_[Rb4U4Ag4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
U 1.3800 1.7500 0.9913
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1200]
_cell_length_b [14.889... |
mp-1114570 | Rb2LiNdBr6 | data_[Rb8Li4Nd4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2632]
_cell_length_b [... |
mp-607 | CeRu2 | data_[Ce8Ru16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.5788]
_cell_length_b [7.5788]
_cell_length_c [7.5788]
_cell_angle_alpha [90.0000]
_cell... |
mp-1205304 | TiI2O7 | data_[Ti4I8O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.4586]
_cell_length_b [8.3245]
_cell_length_c [7.3018]
_ce... |
mp-1278982 | CaFeO3 | data_[Ca2Fe2O6]
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 [Pmma]
_cell_length_a [5.4340]
_cell_length_b [3.8570]
_cell_length_c [5.4235]
_cell... |
mp-773064 | VRhO4 | data_[V4Rh4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.5721]
_cell_length_b [6.5721]
_cell_length_c [5.8980]
_cel... |
mp-1094626 | Mg5Ga | data_[Mg10Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0529]
_cell_length_b [3.1258]
_cell_length_c [16.4298]
_cell_angle_alpha [90.0000]
_cell... |
mp-5167 | Sm(NiGe)2 | data_[Sm2Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1141]
_cell_length_b [4.1141]
_cell_length_c [9.8412]
_... |
mp-15216 | K2TaAgS4 | data_[K16Ta8Ag8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.9889]
_cell_length_b [13.53... |
mp-1217706 | Tb2Ce | data_[Tb6Ce3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5460]
_cell_length_b [3.5460]
_cell_length_c [25.4683]
_cell_angle_alpha [90.0000]
_cell_... |
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