Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001183815 | AcAg4Rh | data_[Ac4Ag16Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9342]
_cell_length_b [7.9342]
_cell_length_c [7.9342]
_... |
agm003880210 | Pb2ScW | data_[Sc2Pb4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pb 2.3300 1.8000 1.1225
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.7277]
_cell_length_b [4.8930]
_cell_length_c [11.0027]
_cel... |
agm002870925 | AsOSn2 | data_[Sn8As4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.4382]
_cell_length_b [5.4382]
_cell_length_c [13.2464]
_ce... |
agm004076552 | LiPbRu2 | data_[Li3Ru6Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0632]
_cell_length_b [3.0632]
_cell_length_c [25.0681]
_c... |
oqmd-9810904 | Au7Cd2 | data_[Cd2Au7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.9238]
_cell_length_b [2.9238]
_cell_length_c [31.1826]
_cell_angle_alpha [90.0000]
_cell... |
agm003005196 | NiPd2Se2 | data_[Ni2Pd4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.6184]
_cell_length_b [6.6184]
_cell_length_c [3.8283]
_... |
agm003680734 | Cl8InLi5 | data_[Li20In4Cl32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.6817]
_cell_length_b [10.6817]
_cell_length_c [10.681... |
agm004837950 | AsPb2SbTm4 | data_[Tm4Sb1As1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1434]
_cell_length_b [4.0... |
agm006076771 | Mg8Ni4Pm | data_[Pm2Mg16Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.2933]
_cell_length_b [9.2933]
_cell_length_c [5.3922]
... |
agm003370572 | Al2Ga5Sc12 | data_[Sc24Al4Ga10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4877]
_cell_length_b [9.6456]
_cell_length_c [7.5667]
... |
oqmd-5976267 | Cd7Er | data_[Er4Cd28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.3733]
_cell_length_b [10.1499]
_cell_length_c [9.4276]
_cell_angle_alpha [90.0000]
_cell... |
agm003334460 | Pd4Tm3Y2 | data_[Y8Tm12Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.6194]
_cell_length_b [17.1983]
_cell_length_c [7.3804]
_c... |
agm004187936 | Co2OsY | data_[Y2Co4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.9057]
_cell_length_b [4.5164]
_cell_length_c [9.2868]
_cell... |
agm004166145 | InScTa2 | data_[Sc4Ta8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8027]
_cell_length_b [6.8027]
_cell_length_c [6.8027]
_c... |
agm002759888 | Cl2GaOs | data_[Ga3Os3Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Os 2.2000 1.3000 0.6730
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5889]
_cell_length_b [3.5889]
_cell_length_c [26.7272]
_c... |
agm005668371 | Bi3Ga3Ti10 | data_[Ti10Ga3Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9460]
_cell_length_b [7.9460]
_cell_length_c [5.4121]
_... |
agm004247248 | AgIr2Pb | data_[Ag1Ir2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3395]
_cell_length_b [3.3395]
_cell_length_c [6.2763]
_... |
agm2000018830 | S3Sc2 | data_[Sc4S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [18.1306]
_cell_length_b [6.6302]
_cell_length_c [7.0038]
_cell_angle_alpha [90.0000]
_cell_... |
agm001025033 | DySbSn | data_[Dy2Sn2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9678]
_cell_length_b [3.9678]
_cell_length_c [10.1938]
_c... |
agm002902817 | LaPbY2 | data_[La4Y8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.0123]
_cell_length_b [9.0123]
_cell_length_c [6.7507]
_cel... |
oqmd-3694558 | CuLiNO | data_[Li2Cu2N2O2]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.0224]
_cell_length_b [5.631... |
agm002706186 | N2PSn | data_[Sn4P4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7291]
_cell_length_b [5.7291]
_cell_length_c [5.7291]
_cell_... |
agm002752640 | I2SeZn | data_[Zn4Se4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5463]
_cell_length_b [7.5463]
_cell_length_c [7.5463]
_cel... |
agm2000126654 | CuI3 | data_[Cu2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0716]
_cell_length_b [7.6233]
_cell_length_c [19.2497]
_cell_angle_alpha [90.0000]
_cell_angl... |
oqmd-6328066 | GdYYb | data_[Yb1Gd1Y1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Gd 1.2000 1.8000 1.0750
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.0744]
_cell_length_b [6.0744]
_cell_length_c [3.2750]
_cel... |
oqmd-3273866 | CdNpPa | data_[Np4Pa4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Pa 1.5000 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8685]
_cell_length_b [6.8685]
_cell_length_c [6.8685]
_c... |
agm002598491 | OsPd3Si | data_[Si1Os1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4508]
_cell_length_b [4.4508]
_cell_length_c [4.4508]
_c... |
agm001550090 | Be2InPRe | data_[Be2In1Re1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
In 1.7800 1.5500 0.9400
Re 1.9000 1.3500 0.7125
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3306]
_cell_length_b [4.3... |
agm001658216 | NOsTa2V | data_[Ta2V1Os1N1]
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
Os 2.2000 1.3000 0.6730
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2876]
_cell_length_b [4.287... |
oqmd-4461608 | Sn2Ti | data_[Ti8Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [12.3726]
_cell_length_b [12.3726]
_cell_length_c [12.3726]
_cell_angle_alpha [90.0000]
_c... |
agm002811153 | BaBr2Ca | data_[Ba4Ca4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.1484]
_cell_length_b [7.1484]
_cell_length_c [14.3270]
_... |
agm004709235 | AcB3Mg4O12 | data_[Ac2Mg8B6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.3290]
_cell_length_b [7.3290... |
agm002674591 | BiFe2Se | data_[Fe8Bi4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5106]
_cell_length_b [6.5106]
_cell_length_c [6.5106]
_c... |
oqmd-4831464 | AsTlZn | data_[Tl2Zn2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0439]
_cell_length_b [5.0439]
_cell_length_c [5.9818]... |
agm005565686 | Er2Ho2Pr5 | data_[Pr10Ho4Er4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4938]
_cell_length_b [5.1266]
_cell_length_c [10.8662]
... |
agm005565441 | Ho2Sc5Tm2 | data_[Ho2Tm2Sc5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.3600]
_cell_length_b [8.2194]
_cell_length_c [9.1009]
_cel... |
agm004709003 | AcCe3N12P4 | data_[Ac3Ce9P12N36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ce 1.1200 1.8500 1.0800
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [11.0249]
_cell_length_b [11.02... |
agm004922629 | O6PuSnTl2 | data_[Pu4Tl8Sn4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Tl 1.6200 1.9000 1.3325
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 [8.4624]
_cell_length_b [8.4... |
agm001255763 | As5Ba3S12 | data_[Ba24As40S96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.1709]
_cell_length_b [16.1709]
_cell_length_c [16.1709... |
agm002496074 | BeH3Tl | data_[Be1Tl1H3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Tl 1.6200 1.9000 1.3325
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0456]
_cell_length_b [4.0456]
_cell_length_c [4.0456]
_cel... |
agm005754928 | Cl5RbW | data_[Rb4W4Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0578]
_cell_length_b [7.5920]
_cell_length_c [9.5493]
_ce... |
agm002556280 | CsNiY3 | data_[Cs1Y3Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5262]
_cell_length_b [5.5262]
_cell_length_c [5.5262]
_cel... |
agm2000089061 | K2Pd2Se3 | data_[K4Pd4Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.7730]
_cell_length_b [14.0506]
_cell_length_c [18.0821]
_ce... |
agm004980091 | LiN6P2Ta | data_[Li4Ta4P8N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2931]
_cell_length_b [8.846... |
agm002924925 | H2ILa2 | data_[La4H4I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8467]
_cell_length_b [3.8467]
_cell_length_c [14.6322]
_cel... |
agm005707952 | Ga3Hg8In4 | data_[In4Ga3Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5897]
_cell_length_b [4.5897]
_cell_length_c [18.1203]
_... |
oqmd-6644860 | Ni2PrSi4Tm | data_[Pr2Tm2Si8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0165]
_cell_length_b [4.0... |
agm005966863 | Hg2ScZr2 | data_[Zr8Sc4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2687]
_cell_length_b [26.7620]
_cell_length_c [5.0437]
_c... |
agm005632232 | PuSbSc | data_[Pu4Sc4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4286]
_cell_length_b [4.2969]
_cell_length_c [8.0457]
_ce... |
agm004525367 | Cd4InK2Pb3 | data_[K2Cd4In1Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.9624]
_cell_length_b [4.96... |
agm002657721 | CaReSe2 | data_[Ca4Re4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Re 1.9000 1.3500 0.7125
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6547]
_cell_length_b [6.6547]
_cell_length_c [6.6547]
_c... |
agm005863288 | As2GeY4 | data_[Y16Ge4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.7780]
_cell_length_b [8.7780]
_cell_length_c [8.7691]
_ce... |
agm005771581 | MnPaPd6 | data_[Pa1Mn1Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0802]
_cell_length_b [4.0802]
_cell_length_c [7.9468]
_... |
agm004725269 | Ce3ErSe8Sm4 | data_[Ce9Sm12Er3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3387]
_cell_length_b [8... |
agm004041413 | NiRuTa2 | data_[Ta2Ni1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0486]
_cell_length_b [4.0486]
_cell_length_c [3.7201]
_... |
agm002675327 | FeGe2Se | data_[Fe4Ge8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5235]
_cell_length_b [6.5235]
_cell_length_c [6.5235]
_c... |
agm005144202 | Al2Dy2InRh5 | data_[Dy4Al4In2Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.9457]
_cell_length_b [... |
oqmd-2593504 | CuGeLuTi | data_[Lu4Ti4Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5918]
_cell_length_b [6.... |
agm001205890 | Ce2GaPb | data_[Ce2Ga1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8280]
_cell_length_b [4.8280]
_cell_length_c [4.5054]
_... |
agm001946500 | HLu2N | data_[Lu6H3N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3952]
_cell_length_b [3.3952]
_cell_length_c [16.4101]
_cell_... |
agm006030770 | CaLa6Sm8 | data_[Ca3La18Sm24]
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
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9592]
_cell_length_b [9.9592]
_cell_length_c [18.6350]
_... |
agm002191090 | GaTc2Ti | data_[Ti4Ga4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1704]
_cell_length_b [6.1704]
_cell_length_c [6.1704]
_c... |
agm003646933 | IrNb5Rh4 | data_[Nb5Ir1Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8885]
_cell_length_b [2.8885]
_cell_length_c [19.2489]
... |
agm003701008 | CeNb6Te8 | data_[Ce3Nb18Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1068]
_cell_length_b [10.1068]
_cell_length_c [13.3251]... |
agm003385462 | Er4Ho3Nd8 | data_[Nd16Ho6Er8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7740]
_cell_length_b [12.1817]
_cell_length_c [6.8754]
... |
agm003513716 | CeGa7Tc2 | data_[Ce2Ga14Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.8454]
_cell_length_b [10.6153]
_cell_length_c [4.7637]
_... |
agm003303702 | Hg2Na2Pd3 | data_[Na8Hg8Pd12]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.3043]
_cell_length_b [8.3043]
_cell_length_c [8.3043]
_... |
agm004710362 | KLi3Np4S12 | data_[K2Li6Np8S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Np 1.3600 1.7500 1.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.8170]
_cell_length_b [9.8170... |
agm005875876 | Ni2O4Pd | data_[Ni4Pd2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.9697]
_cell_length_b [8.5777]
_cell_length_c [3.0352]
_cell... |
agm002871923 | ClLaO2 | data_[La4Cl4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.2011]
_cell_length_b [4.2011]
_cell_length_c [17.1517]
_ce... |
oqmd-5142797 | AcNpOP | data_[Ac2Np2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Np 1.3600 1.7500 1.0000
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4654]
_cell_length_b [7.871... |
agm001129593 | ErLu2Se | data_[Er1Lu2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Lu 1.2700 1.7500 1.0010
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5310]
_cell_length_b [3.5310]
_cell_length_c [8.4093]
_... |
agm003564487 | Ho3MgTb5 | data_[Tb20Ho12Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4183]
_cell_length_b [11.4763]
_cell_length_c [9.1304]... |
oqmd-8550938 | CCoCuY2 | data_[Y2Co1Cu1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9520]
_cell_length_b [4.952... |
agm003130302 | AuLa3O | data_[La48Au16O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [13.1967]
_cell_length_b [13.1967]
_cell_length_c [13.1967... |
agm005737420 | Cd2DyMg10 | data_[Dy4Mg40Cd8]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.9479]
_cell_length_b [14.2026]
_cell_length_c [14.3012]
... |
agm003356235 | Ho8Sc3Th2 | data_[Ho16Th4Sc6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2722]
_cell_length_b [20.0361]
_cell_length_c [5.5178]
_... |
agm003683391 | Co12Ge6Pm | data_[Pm3Co36Ge18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.6175]
_cell_length_b [10.6175]
_cell_length_c [8.0089]... |
agm001568315 | Al2CNiRe | data_[Al2Re1Ni1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Re 1.9000 1.3500 0.7125
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9937]
_cell_length_b [3.9... |
agm005892945 | BLi3Se3 | data_[Li12B4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6586]
_cell_length_b [6.7836]
_cell_length_c [10.0295]
... |
agm004809772 | Hg4LaPm2Tb | data_[La3Tb3Pm6Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3900]
_cell_length_b [5.... |
agm001481204 | BaHLiRh2 | data_[Ba1Li1H1Rh2]
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
H 2.2000 0.2500 0.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1481]
_cell_length_b [4.1... |
agm003456441 | Cd2KTl4 | data_[K2Tl8Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1786]
_cell_length_b [17.1745]
_cell_length_c [5.0981]
_cel... |
agm005721600 | Pb9Rh4Y11 | data_[Y22Rh8Pb18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.7599]
_cell_length_b [22.0409]
_cell_length_c [3.7916]
_... |
agm001380885 | LiNpPbRh | data_[Li4Np4Rh4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Np 1.3600 1.7500 1.0000
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8050]
_cell_length_b [6.... |
agm002345193 | Mn2NdPd3 | data_[Nd1Mn2Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.6483
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5439]
_cell_length_b [5.5439]
_cell_length_c [4.1604]
_... |
mp-1219127 | HgO9Re3 | data_[Re3Hg1O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [7.4397]
_cell_length_b [7.4397]
_cell_length_c [3.7894]
_cell... |
agm004864969 | DyLaNd2Sm4 | data_[La1Nd2Sm4Dy1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2903]
_cell_length_b [3.6... |
agm004921453 | Dy2GeHPt6 | data_[Dy6Ge3H3Pt18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6542]
_cell_length_b [5.65... |
agm004731972 | As3Pr8RhTe4 | data_[Pr24Te12As9Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7556]
_cell_length_b [8... |
agm003900805 | KMo2Pb | data_[K2Mo4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mo 2.1600 1.4500 0.7750
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1707]
_cell_length_b [4.1707]
_cell_length_c [9.8352]
_ce... |
agm005206115 | DyHoNiSi | data_[Dy2Ho2Si2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0404]
_cell_length_b [3.9... |
agm002839430 | HScV2 | data_[Sc8V16H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.6812]
_cell_length_b [7.6812]
_cell_length_c [7.6812]
_cell... |
agm005450748 | BrHgIn4 | data_[In16Hg4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.9564]
_cell_length_b [8.9564]
_cell_length_c [8.9564]
_... |
agm004920221 | DyHo4S8Sr | data_[Sr3Dy3Ho12S24]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1282]
_cell_length_b [8.12... |
agm001606837 | BrCsF2Zn | data_[Cs1Zn1Br1F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zn 1.6500 1.3500 0.8800
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6296]
_cell_length_b [4.6... |
agm005697324 | IrPm2Zn3 | data_[Pm4Zn6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2877]
_cell_length_b [4.3813]
_cell_length_c [7.1325]
_cel... |
agm004927582 | F6GaK2Ni | data_[K4Ga2Ni2F12]
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
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.6934]
_cell_length_b [5.69... |
agm001333116 | AgLaNaSn | data_[Na4La4Ag4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5643]
_cell_length_b [7.... |
agm001801655 | AsBNTe2 | data_[B1Te2As1N1]
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
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.2380]
_cell_length_b [6.238... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.