Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm006138707 | H2Ir2Mg | data_[Mg2H4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1303]
_cell_length_b [4.9457]
_cell_length_c [5.9268]
_cell_... |
agm003609379 | GaScY | data_[Y3Sc3Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6922]
_cell_length_b [7.6922]
_cell_length_c [4.2196]
_cel... |
agm002848396 | FLiSr2 | data_[Sr8Li4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.4783]
_cell_length_b [7.4783]
_cell_length_c [9.5757]
_cel... |
agm006132738 | CdLa5Pb6 | data_[La10Cd2Pb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0604]
_cell_length_b [9.4627]
_cell_length_c [15.6609]
... |
agm001256255 | Ac3In5Te12 | data_[Ac24In40Te96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.2769]
_cell_length_b [18.2769]
_cell_length_c [18.27... |
agm005091668 | I6InPmSr | data_[Sr2Pm2In2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [8.2283]
_cell_length_b [8.2... |
agm001940735 | NbSmSn2 | data_[Sm3Nb3Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1869]
_cell_length_b [4.1869]
_cell_length_c [20.8190]
_c... |
agm001146386 | BiPa2W | data_[Pa2Bi1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8130]
_cell_length_b [3.8130]
_cell_length_c [6.6730]
_ce... |
agm004912119 | CdI8Pu2Rb | data_[Rb1Pu2Cd1I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pu 1.2800 1.7500 0.9675
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4388]
_cell_length_b [9.641... |
agm001750573 | AuNNiO2 | data_[Ni1Au1N1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8572]
_cell_length_b [3.857... |
oqmd-2519507 | Ba4C3Se | data_[Ba4C3Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
C 2.5500 0.7000 0.3000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1121]
_cell_length_b [8.2630]
_cell_length_c [8.4520]
_cell_a... |
agm004137824 | BeSe2Ta | data_[Ta3Be3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3461]
_cell_length_b [3.3461]
_cell_length_c [20.2322]
_c... |
agm005509779 | PZr2 | data_[Zr8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.2832]
_cell_length_b [6.2832]
_cell_length_c [6.2832]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm003443077 | Dy2Mg4Tb | data_[Tb2Dy4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.9699]
_cell_length_b [12.9473]
_cell_length_c [5.4570]
_c... |
oqmd-2595323 | CuNiSnTc | data_[Cu4Tc4Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1751]
_cell_length_b [6.... |
agm005617149 | Pd6Si3Sm2 | data_[Sm2Si3Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3371]
_cell_length_b [7.3371]
_cell_length_c [4.2944]
_c... |
agm002440684 | AsCaGe3 | data_[Ca1Ge3As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0890]
_cell_length_b [5.0890]
_cell_length_c [5.0890]
_c... |
agm004249249 | Cr2NiY | data_[Y1Cr2Ni1]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9929]
_cell_length_b [3.9929]
_cell_length_c [4.3828]
_ce... |
agm001816951 | CeCrTh2 | data_[Ce1Th2Cr1]
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
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5098]
_cell_length_b [3.5098]
_cell_length_c [8.0757]
_... |
oqmd-9938226 | Lu2OsSn2 | data_[Lu8Sn8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sn 1.9600 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7305]
_cell_length_b [4.3960]
_cell_length_c [10.8772]
_... |
agm004652197 | Ca3P6PaSm2 | data_[Ca6Sm4Pa2P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
Pa 1.5000 1.8000 1.0400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1439]
_cell_length_b [12.3... |
agm002528080 | Ga3LaMn | data_[La1Mn1Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6326]
_cell_length_b [5.6326]
_cell_length_c [5.6326]
_c... |
agm004445046 | FHf | data_[Hf8F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0633]
_cell_length_b [10.0633]
_cell_length_c [3.1220]
_cell_angle_alpha [90.0000]
_cell_a... |
agm002981385 | Ag2GeZr2 | data_[Zr4Ag4Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8331]
_cell_length_b [6.8331]
_cell_length_c [4.3034]
_... |
agm004530710 | Ag4Ba2Bi3In | data_[Ba2In1Ag4Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.9409]
_cell_length_b [4.... |
agm003493434 | Ga2NiY6 | data_[Y12Ga4Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1550]
_cell_length_b [8.1703]
_cell_length_c [11.1902]
_... |
agm004074908 | CdLaMg2 | data_[La1Mg2Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4713]
_cell_length_b [3.4713]
_cell_length_c [8.6573]
_... |
agm002361072 | B2CCdCo2 | data_[Cd2Co4B4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3485]
_cell_length_b [3.5638]... |
agm004731780 | Dy3LiTe8Th4 | data_[Li3Dy9Th12Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4358]
_cell_length_b [8... |
agm002852194 | CoMg2Sb | data_[Mg8Co4Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.0541]
_cell_length_b [4.0541]
_cell_length_c [19.4819]
_... |
agm1000013984 | CrN2 | data_[Cr1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [16.2936]
_cell_length_b [2.6622]
_cell_length_c [16.2936]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm002462029 | Cu3NbTl | data_[Nb1Tl1Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9022]
_cell_length_b [4.9022]
_cell_length_c [4.9022]
_c... |
agm005519171 | NiP3 | data_[Ni4P12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4007]
_cell_length_b [9.6515]
_cell_length_c [5.3968]
_cell_angle_alpha [90.0000]
_cell_an... |
agm006026937 | In3NaTl9 | data_[Na2Tl18In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0209]
_cell_length_b [9.6545]
_cell_length_c [9.3928]
... |
agm001449644 | BiHgIr2Si | data_[Si1Hg1Bi1Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0549]
_cell_length_b [5... |
agm004963966 | Ac2BO6Pd | data_[Ac2B1Pd1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
B 2.0400 0.8500 0.4100
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3850]
_cell_length_b [5.3850... |
agm002744737 | IrSbTi2 | data_[Ti8Sb4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5029]
_cell_length_b [6.5029]
_cell_length_c [6.5029]
_c... |
mp-1204989 | CH4N4O2 | data_[H64C16N64O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [18.3680]
_cell_length_b [27.021... |
agm2000132065 | Ag2Cl6V | data_[V1Ag2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.6727]
_cell_length_b [6.6727]
_cell_length_c [17.7189]
_ce... |
oqmd-5373693 | As2Cu2NaY | data_[Na1Y1Cu2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1403]
_cell_length_b [4.14... |
agm2000041335 | As12W7 | data_[As12W7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.4842]
_cell_length_b [7.4842]
_cell_length_c [21.2618]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005962047 | Mg3Tb4Tl | data_[Tb4Mg3Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7962]
_cell_length_b [3.7962]
_cell_length_c [15.2531]
... |
agm005755432 | Se6TiZr2 | data_[Zr4Ti2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6676]
_cell_length_b [3.7232]
_cell_length_c [9.2630]
_... |
agm004894793 | DyH8Ir2Pr | data_[Pr3Dy3H24Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
H 2.2000 0.2500 0.0000
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.8755]
_cell_length_b [4.875... |
agm004528908 | CoCu3Er2Ga4 | data_[Er2Ga4Co1Cu3]
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
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9914]
_cell_length_b [3.... |
agm002818807 | CoRhTa2 | data_[Ta8Co4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.8779]
_cell_length_b [6.8779]
_cell_length_c [5.4780]
_c... |
agm005651364 | NbTaZn | data_[Ta4Nb4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3132]
_cell_length_b [12.8718]
_cell_length_c [3.6685]
_c... |
agm003487488 | La2O6Ta | data_[La4Ta2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.2464]
_cell_length_b [5.2464]
_cell_length_c [10.6163]... |
agm003855509 | AlBe2Os | data_[Be2Al1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0069]
_cell_length_b [3.0069]
_cell_length_c [5.0911]
_... |
agm004466063 | CrK | data_[K8Cr8]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [11.5360]
_cell_length_b [11.5360]
_cell_length_c [4.0886]
_cell_angle_alpha [90.0000]
_cell... |
agm002276023 | GaPt2Y2 | data_[Y4Ga2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6055]
_cell_length_b [7.6055]
_cell_length_c [3.7286]
_ce... |
agm003823862 | PtTcW2 | data_[Tc2Pt2W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Pt 2.2800 1.3500 0.8050
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9549]
_cell_length_b [3.9549]
_cell_length_c [7.9404]
_cel... |
agm003685394 | BaNi12P6 | data_[Ba3Ni36P18]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.3318]
_cell_length_b [10.3318]
_cell_length_c [8.1971]
_... |
agm003726353 | AcAu3Ca | data_[Ca4Ac4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.4259]
_cell_length_b [5.4259]
_cell_length_c [23.0377]
... |
oqmd-6621633 | Hg3NaO4Pb | data_[Na1Hg3Pb1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [5.7119]
_cell_length_b [5.71... |
agm004328197 | CoMn2Zn | data_[Mn6Zn3Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.5176]
_cell_length_b [2.5176]
_cell_length_c [25.1416]
_c... |
oqmd-3762292 | EuNOSn | data_[Eu4Sn4N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.8043]
_cell_length_b [6.874... |
agm005472440 | BeSb4Si | data_[Be4Si4Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.6527]
_cell_length_b [8.6527]
_cell_length_c [8.6527]
_... |
agm002825214 | FSrTc2 | data_[Sr4Tc8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tc 1.9000 1.3500 0.7417
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.5296]
_cell_length_b [4.5296]
_cell_length_c [18.0864]
... |
agm001974078 | HfSm2Tb | data_[Tb3Sm6Hf3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Hf 1.3000 1.5500 0.8500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3721]
_cell_length_b [3.3721]
_cell_length_c [36.3816]
_c... |
agm001983786 | DyHo2Sr | data_[Sr3Dy3Ho6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5896]
_cell_length_b [3.5896]
_cell_length_c [38.1664]
_c... |
agm001683405 | BBr2SeTe | data_[B1Te1Se1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5347]
_cell_length_b [5.5... |
agm003871201 | BeIn2Sc | data_[Sc2Be2In4]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1978]
_cell_length_b [4.1978]
_cell_length_c [9.1379]
_c... |
agm005880868 | PdPt4Zn2 | data_[Zn6Pd3Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8131]
_cell_length_b [2.8131]
_cell_length_c [46.3976]
_... |
oqmd-9153341 | AgCuDyS3 | data_[Dy4Cu4Ag4S12]
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
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8172]
_cell_length_b [12.2... |
agm001995485 | O2TiU | data_[U3Ti3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1081]
_cell_length_b [3.1081]
_cell_length_c [19.7746]
_cell_... |
oqmd-2487979 | TlZr | data_[Zr10Tl10]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3909]
_cell_length_b [15.7714]
_cell_length_c [5.6265]
_cell_angle_alpha [90.0000]
_cel... |
agm004390561 | InNiZn2 | data_[Zn8In4Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2630]
_cell_length_b [6.2630]
_cell_length_c [6.2630]
_c... |
oqmd-3309220 | GeNiTaV | data_[Ta4V4Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1269]
_cell_length_b [6.12... |
agm005664640 | Er5Sm5Th2 | data_[Sm5Er5Th2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1738]
_cell_length_b [7.9807]
_cell_length_c [8.7624]
_cel... |
agm002431673 | CCr3La | data_[La1Cr3C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4459]
_cell_length_b [4.4459]
_cell_length_c [4.4459]
_cel... |
agm005056220 | BaLiO4Re | data_[Ba4Li4Re4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.4129]
_cell_length_b [8.4... |
agm004528460 | Al4CuNd2Ni3 | data_[Nd2Al4Cu1Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2657]
_cell_length_b [4.... |
oqmd-6997009 | RhTaU | data_[U4Ta4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ta 1.5000 1.4500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4230]
_cell_length_b [6.4230]
_cell_length_c [6.4230]
_cel... |
agm006061347 | Al3Ga6Mg | data_[Mg2Al6Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4153]
_cell_length_b [4.0671]
_cell_length_c [9.4183]
... |
agm002877598 | FeHfP2 | data_[Hf4Fe4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.4046]
_cell_length_b [4.4046]
_cell_length_c [13.8715]
_ce... |
agm004492856 | Ba2O12TbTe3 | data_[Ba6Tb3Te9O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4948]
_cell_length_b [7.49... |
agm006092512 | Bi4Sc5Se | data_[Sc10Bi8Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1987]
_cell_length_b [4.1987]
_cell_length_c [29.6027]... |
agm005872852 | DyPd4Y | data_[Dy4Y4Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1916]
_cell_length_b [19.4171]
_cell_length_c [5.7881]
_ce... |
agm001539533 | AlBMgZn2 | data_[Mg1Al1Zn2B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9440]
_cell_length_b [4.9... |
oqmd-6474990 | FeGdRuSi2 | data_[Gd2Fe2Si4Ru2]
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
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0676]
_cell_length_b [4.... |
agm004534799 | Al4AuEr2Zn3 | data_[Er2Al4Zn3Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1472]
_cell_length_b [4.... |
agm003429251 | Dy3S2Se | data_[Dy6Se2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9672]
_cell_length_b [5.5979]
_cell_length_c [11.8889]
_cel... |
agm004709725 | AcNa4O12V3 | data_[Na8Ac2V6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ac 1.1000 1.9500 1.2600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.0177]
_cell_length_b [8.0177... |
agm003587890 | AcCu8In3 | data_[Ac1In3Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0786]
_cell_length_b [5.0786]
_cell_length_c [9.2045]
_ce... |
agm2000138873 | Cl4ErNd | data_[Nd2Er2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0736]
_cell_length_b [3.7843]
_cell_length_c [18.8868]... |
agm001306801 | LiPaSiTc | data_[Li4Pa4Si4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pa 1.5000 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4450]
_cell_length_b [6.... |
agm004435459 | BeFeOs2 | data_[Be2Fe2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Fe 1.8300 1.4000 0.8525
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.7624]
_cell_length_b [4.4653]
_cell_length_c [8.2849]
_ce... |
agm005439389 | BrCu4Mo | data_[Cu16Mo4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1024]
_cell_length_b [7.1024]
_cell_length_c [7.1024]
_... |
agm2000134513 | O8PaSe2 | data_[Pa1Se2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
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 [5.8838]
_cell_length_b [5.8838]
_cell_length_c [22.1550]
_ce... |
agm003734812 | AuCdPd4 | data_[Cd2Pd8Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8764]
_cell_length_b [5.8042]
_cell_length_c [6.9801]
_... |
oqmd-3327341 | Na2RuTl | data_[Na8Tl4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8162]
_cell_length_b [6.8162]
_cell_length_c [6.8162]
_c... |
agm004314789 | NiPt2Te | data_[Ni1Te1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4747]
_cell_length_b [3.4747]
_cell_length_c [5.5064]
_... |
agm005420268 | AlIn4Mo | data_[Al4In16Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0914]
_cell_length_b [8.0914]
_cell_length_c [8.0914]
_... |
agm004507705 | AlGe3Pt4Sm2 | data_[Sm2Al1Ge3Pt4]
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
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3184]
_cell_length_b [4.... |
agm002846859 | AgLi2Zr | data_[Li8Zr4Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.3408]
_cell_length_b [7.3408]
_cell_length_c [5.6545]
_c... |
agm003376867 | Nd3Pm8Pr3 | data_[Pm16Pr6Nd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.7963]
_cell_length_b [11.0109]
_cell_length_c [15.5281]
... |
agm005632627 | CrNaO2 | data_[Na8Cr8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.2445]
_cell_length_b [12.0753]
_cell_length_c [5.3205]
_ce... |
agm004297461 | AlRe2Ta | data_[Ta2Al2Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1565]
_cell_length_b [4.5615]
_cell_length_c [8.6705]
_ce... |
agm003939539 | As2BeRh | data_[Be2As4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6560]
_cell_length_b [3.1139]
_cell_length_c [5.8710]
_cell... |
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