Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1102236 | TmFe2 | data_[Tm4Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0929]
_cell_length_b [5.0929]
_cell_length_c [8.2743]
_cell_angle_alpha [90.0000]
_ce... |
mp-3324 | Nb2SnO6 | data_[Nb8Sn4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.4125]
_cell_length_b [4.9612]
_cell_length_c [5.7072]
_ce... |
mp-1227398 | Bi2Te4Pb | data_[Bi6Te12Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4854]
_cell_length_b [4.4854]
_cell_length_c [42.5828]
_c... |
mp-1097013 | KGaTe2 | data_[K4Ga4Te8]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.9302]
_cell_length_b [7.9302]
_cell_length_c [9.7177]
_cel... |
mp-1078899 | LuNi | data_[Lu4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9090]
_cell_length_b [4.0802]
_cell_length_c [5.3083]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-31486 | K2SnBi | data_[K8Sn4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [6.8770]
_cell_length_b [13.6251]
_cell_length_c [6.6433]
_cel... |
mp-1820 | YbS | data_[Yb4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6638]
_cell_length_b [5.6638]
_cell_length_c [5.6638]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-36209 | TmCuSe2 | data_[Tm1Cu1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0539]
_cell_length_b [4.0539]
_cell_length_c [6.3767]
_ce... |
mp-505366 | AuBr | data_[Au4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4_2/ncm]
_cell_length_a [4.3798]
_cell_length_b [4.3798]
_cell_length_c [13.2974]
_cell_angle_alpha [90.0000]
_c... |
mp-752463 | NbNO | data_[Nb4N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [3.9692]
_cell_length_b [3.9692]
_cell_length_c [10.4850]
_cel... |
mp-1188413 | Zr3Rh | data_[Zr24Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [10.7594]
_cell_length_b [10.7594]
_cell_length_c [5.7501]
_cell_angle_alpha [90.0000]
_ce... |
mp-1188663 | Pd5Pb3 | data_[Pd20Pb12]
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
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.4774]
_cell_length_b [7.8292]
_cell_length_c [7.4599]
_cell_angle_alpha [90.0000]
_cell_... |
mp-23597 | Sr4Mn3(ClO4)2 | data_[Sr8Mn6Cl4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9195]
_cell_length_b [3.... |
mp-1078740 | Ho3(CoGe2)2 | data_[Ho6Co4Ge8]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5602]
_cell_length_b [4.1561]
_cell_length_c [7.9763]
_c... |
mp-1100765 | Pm2GaAg | data_[Pm8Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4348]
_cell_length_b [7.4348]
_cell_length_c [7.4348]
_c... |
mvc-8963 | CaLaFeCoO6 | data_[Ca2La2Fe2Co2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
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 [Pc]
_cell_length_a... |
mp-1215821 | YZr2Co9 | data_[Y3Zr6Co27]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8479]
_cell_length_b [4.8479]
_cell_length_c [23.9961]
_cel... |
mvc-5044 | Ca2AgWO6 | data_[Ca4Ag2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6270]
_cell_length_b [5.92... |
mp-556386 | KNa3WO5 | data_[K4Na12W4O20]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1637]
_cell_length_b [7.5746]... |
mp-3407 | TlCr5Se8 | data_[Tl2Cr10Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0340]
_cell_length_b [3.6806]
_cell_length_c [9.0844]
... |
mp-1225603 | Gd2Fe17C | data_[Gd4Fe34C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5145]
_cell_length_b [8.4767]
_cell_length_c [6.3229]
_cel... |
mp-1236158 | LiV4O10 | data_[Li1V4O10]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9898]
_cell_length_b [6.7206]
_cell_length_c [7.6134]
_cell_an... |
mp-839 | V3Au | data_[V6Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [4.8811]
_cell_length_b [4.8811]
_cell_length_c [4.8811]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-7117 | LiAlSe2 | data_[Li4Al4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.9161]
_cell_length_b [8.3604]
_cell_length_c [6.6160]
_... |
mp-1224346 | Hf3ScSi4 | data_[Hf3Sc1Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2700]
_cell_length_b [3.7322]
_cell_length_c [7.0583]
_cell... |
mp-1079882 | Ba3SrO4 | data_[Ba3Sr1O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5325]
_cell_length_b [5.5325]
_cell_length_c [5.5325]
_cel... |
mp-768729 | RbFeO2 | data_[Rb4Fe4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [5.9005]
_cell_length_b [5.9005]
_cell_length_c [8.2499]
_... |
mp-867794 | Sc2CuIr | data_[Sc8Cu4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4712]
_cell_length_b [6.4712]
_cell_length_c [6.4712]
_c... |
mp-755651 | CsGdO2 | data_[Cs2Gd2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Gd 1.2000 1.8000 1.0750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6167]
_cell_length_b [3.6167]
_cell_length_c [13.7897]
... |
mp-1182345 | Au(OF3)2 | data_[Au1O2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
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 [5.0636]
_cell_length_b [5.1438]
_cell_length_c [5.2356]
_cell_an... |
mp-752978 | Mn3(OF2)2 | data_[Mn6O4F8]
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 [P2_1/c]
_cell_length_a [7.9879]
_cell_length_b [4.7912]
_cell_length_c [5.7356]
_cell... |
mp-973996 | Lu2GaCu | data_[Lu8Ga4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9040]
_cell_length_b [6.9040]
_cell_length_c [6.9040]
_c... |
mp-1029357 | NaZnN | data_[Na2Zn2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.4504]
_cell_length_b [3.4504]
_cell_length_c [8.6872]
_ce... |
mp-1228033 | BaFeCuF7 | data_[Ba4Fe4Cu4F28]
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
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.8155]
_cell_length_b [10.11... |
mp-1205546 | Ho2Co2I | data_[Ho4Co4I2]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9378]
_cell_length_b [3.9378]
_cell_length_c [16.9472]
... |
mp-1187789 | Y3Er | data_[Y6Er2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2611]
_cell_length_b [7.2611]
_cell_length_c [5.6697]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217126 | Ti4Fe2P3 | data_[Ti8Fe4P6]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4656]
_cell_length_b [10.6502]
_cell_length_c [6.3922]
_cel... |
mp-1225537 | Fe(BRh2)3 | data_[Fe4B12Rh24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.9991]
_cell_length_b [7.5191]
_cell_length_c [4.7608]
_cel... |
mp-1520511 | Sr2HfSnO6 | data_[Sr8Hf4Sn4O24]
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
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2470]
_cell_length_b [8.2... |
mp-1216032 | YEr(FeO3)2 | data_[Y2Er2Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [7.7084]
_cell_length_b [5.32... |
mp-1183460 | Ca2InPb | data_[Ca8In4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7965]
_cell_length_b [7.7965]
_cell_length_c [7.7965]
_c... |
mp-1188478 | Sm2Ni7 | data_[Sm12Ni42]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9548]
_cell_length_b [4.9548]
_cell_length_c [36.6579]
_cell_angle_alpha [90.0000]
_cel... |
mp-1206693 | Cs3AuF6 | data_[Cs3Au1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Au 2.5400 1.3500 1.0700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6512]
_cell_length_b [7.7295]
_cell_length_c [7.7864]
_cell_... |
mp-706271 | K2NaMo(OF)3 | data_[K4Na2Mo2O6F6]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a ... |
mp-722 | Pr3Se4 | data_[Pr12Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.0123]
_cell_length_b [9.0123]
_cell_length_c [9.0123]
_cell_angle_alpha [90.0000]
_cel... |
mp-1209743 | Pr3RuBr3 | data_[Pr6Ru2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ru 2.2000 1.3000 0.6610
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1169]
_cell_length_b [4.2532]
_cell_length_c [12.2586]
... |
mp-865533 | Ti2ReOs | data_[Ti8Re4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2091]
_cell_length_b [6.2091]
_cell_length_c [6.2091]
_c... |
mp-1222895 | LaSm3(FeO3)4 | data_[La1Sm3Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4760]
_cell_length_b [7.8247... |
mp-371 | La3Tl | data_[La3Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0801]
_cell_length_b [5.0801]
_cell_length_c [5.0801]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1078811 | Nb2GeC | data_[Nb4Ge2C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2754]
_cell_length_b [3.2754]
_cell_length_c [12.5571]
... |
mp-2358 | SmAl2 | data_[Sm8Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.9781]
_cell_length_b [7.9781]
_cell_length_c [7.9781]
_cell_angle_alpha [90.0000]
_cell... |
mp-1190159 | Sc7NiBr12 | data_[Sc21Ni3Br36]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.0982]
_cell_length_b [14.0982]
_cell_length_c [9.6058]
... |
mp-7879 | Sr(AgGe)2 | data_[Sr2Ag4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5063]
_cell_length_b [4.5063]
_cell_length_c [10.9317]
... |
mp-635469 | CeCuSO | data_[Ce2Cu2S2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9097]
_cell_length_b [3.909... |
mp-1203 | TiO | data_[Ti10O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [9.3411]
_cell_length_b [4.1737]
_cell_length_c [5.8459]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-30373 | RbAu | data_[Rb1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2020]
_cell_length_b [4.2020]
_cell_length_c [4.2020]
_cell_angle_alpha [90.0000]
_cell_... |
mp-20806 | Gd(CuGe)2 | data_[Gd2Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0662]
_cell_length_b [4.1032]
_cell_length_c [4.1092]
_c... |
mp-30558 | HoCo3 | data_[Ho9Co27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9557]
_cell_length_b [4.9557]
_cell_length_c [24.3033]
_cell_angle_alpha [90.0000]
_cell... |
mp-1095498 | Ba2Ni5Ge4 | data_[Ba4Ni10Ge8]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5265]
_cell_length_b [4.0405]
_cell_length_c [9.6743]
_... |
mp-755039 | Fe6OF11 | data_[Fe12O2F22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.6933]
_cell_length_b [6.8687]
_cell_length_c [6.8138]
_cell... |
mp-552028 | Nd2Ti2S2O5 | data_[Nd4Ti4S4O10]
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
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8680]
_cell_length_b [3.86... |
mp-777411 | Mn3(O2F)2 | data_[Mn12O16F8]
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 [6.7591]
_cell_length_b [6.2933]
_cell_length_c [9.0899]
_cell... |
mp-29404 | La2CCl | data_[La6C3Cl3]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8609]
_cell_length_b [3.8609]
_cell_length_c [22.0747]
_cel... |
mp-1069771 | Rb2PdSe2 | data_[Rb4Pd2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8744]
_cell_length_b [7.7093]
_cell_length_c [10.2753]
_c... |
mp-1226629 | CePt4Rh | data_[Ce1Pt4Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3699]
_cell_length_b [5.3699]
_cell_length_c [4.4361]
_c... |
mp-1183945 | CsRb3 | data_[Cs1Rb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [7.2838]
_cell_length_b [7.2838]
_cell_length_c [7.2838]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1226523 | CeTh | data_[Ce3Th3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4491]
_cell_length_b [3.4491]
_cell_length_c [16.9438]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1103471 | LaAsS | data_[La4As4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.7608]
_cell_length_b [3.9803]
_cell_length_c [4.0482]
_cel... |
mp-755831 | BrClO | data_[Br18Cl18O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.6317]
_cell_length_b [15.6317]
_cell_length_c [6.4159]
_... |
mp-1184403 | Gd2AlCd | data_[Gd8Al4Cd4]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4586]
_cell_length_b [7.4586]
_cell_length_c [7.4586]
_c... |
mp-11428 | GdPt | data_[Gd4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2036]
_cell_length_b [4.5193]
_cell_length_c [5.6524]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-6430 | Ba2YReO6 | data_[Ba8Y4Re4O24]
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
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4784]
_cell_length_b [8.478... |
mp-574430 | BaUI6 | data_[Ba4U4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
U 1.3800 1.7500 0.9913
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.3589]
_cell_length_b [14.5854]
_cell_length_c [15.3545]
_cell_... |
mp-1024977 | YbNi4Au | data_[Yb4Ni16Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
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 [6.8924]
_cell_length_b [6.8924]
_cell_length_c [6.8924]
_... |
mp-569335 | Sm2C3 | data_[Sm16C24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.4774]
_cell_length_b [8.4774]
_cell_length_c [8.4774]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1112576 | Cs2LiNdF6 | data_[Cs8Li4Nd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0823]
_cell_length_b [9.0... |
mp-1216949 | TiCoSn | data_[Ti4Co4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9511]
_cell_length_b [5.9511]
_cell_length_c [5.9511]
_c... |
mp-567082 | Ti4As3 | data_[Ti16As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [7.6917]
_cell_length_b [7.6917]
_cell_length_c [7.6917]
_cell_angle_alpha [90.0000]
_cel... |
mp-1102732 | HfSiW | data_[Hf4Si4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Si 1.9000 1.1000 0.5400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9448]
_cell_length_b [3.5270]
_cell_length_c [8.1956]
_cell... |
mp-16226 | TaS2 | data_[Ta6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.3635]
_cell_length_b [3.3635]
_cell_length_c [39.2923]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1103954 | Tb3Ga8Ir3 | data_[Tb6Ga16Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2290]
_cell_length_b [9.9208]
_cell_length_c [12.3485]
_... |
mp-11738 | Na3PS3O | data_[Na12P4S12O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.6252]
_cell_length_b [11.69... |
mp-865129 | Lu2MgGe2 | data_[Lu4Mg2Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1453]
_cell_length_b [7.1453]
_cell_length_c [4.1713]
_... |
mp-1208083 | TlCr2FeO8 | data_[Tl2Cr4Fe2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9474]
_cell_length_b [5.56... |
mp-1184078 | Dy2MgGa | data_[Dy8Mg4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3079]
_cell_length_b [7.3079]
_cell_length_c [7.3079]
_c... |
mp-769662 | Li2TiFe2O5 | data_[Li4Ti2Fe4O10]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3327]
_cell_length_b [5.074... |
mp-1522340 | KSrTbSbO6 | data_[K4Sr4Tb4Sb4O24]
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
Tb 1.1000 1.7500 0.9815
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-1025438 | LuPt | data_[Lu4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9127]
_cell_length_b [4.4026]
_cell_length_c [5.5391]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1105702 | Zr4NbGa3 | data_[Zr16Nb4Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.8278]
_cell_length_b [10.8278]
_cell_length_c [5.340... |
mp-1104706 | NaCaSiO4 | data_[Na4Ca4Si4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [5.7044]
_cell_length_b [9.... |
mp-1205963 | LuAgGe | data_[Lu3Ag3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1048]
_cell_length_b [7.1048]
_cell_length_c [4.1342]
_c... |
mp-866056 | AcN | data_[Ac2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.2553]
_cell_length_b [4.2553]
_cell_length_c [6.4463]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-569857 | K2P3 | data_[K32P48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.4005]
_cell_length_b [14.9471]
_cell_length_c [18.9315]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-30426 | BaCdBi2 | data_[Ba4Cd4Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7725]
_cell_length_b [4.7725]
_cell_length_c [24.5755]
... |
mp-1224598 | Ge4(Mo3W)3 | data_[Ge4Mo9W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9806]
_cell_length_b [4.9723]
_cell_length_c [9.9737]
_cell_a... |
mp-573691 | K | data_[K16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.8156]
_cell_length_b [8.9608]
_cell_length_c [8.9148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
mp-22706 | Mn3GeC | data_[Mn12Ge4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.2798]
_cell_length_b [5.2798]
_cell_length_c [8.0642]
_c... |
mp-19199 | BaSm2NiO5 | data_[Ba2Sm4Ni2O10]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8395]
_cell_length_b [5.92... |
mp-1206495 | Pb2BrOF | data_[Pb8Br4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [5.9103]
_cell_length_b [13.1875... |
mp-2540 | VTc | data_[V1Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.0260]
_cell_length_b [3.0260]
_cell_length_c [3.0260]
_cell_angle_alpha [90.0000]
_cell_an... |
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