Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003387805 | Bi2PmY2 | data_[Pm2Y4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3793]
_cell_length_b [6.2524]
_cell_length_c [7.4988]
_cell... |
agm001533893 | CdGaHgI2 | data_[Cd1Ga1Hg1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8174]
_cell_length_b [5.8... |
agm006133881 | Er5Ir6Th | data_[Er10Th2Ir12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Th 1.3000 1.8000 1.0800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7804]
_cell_length_b [14.3343]
_cell_length_c [7.0847]
... |
agm1000009861 | BeI2 | data_[Be4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [16.8842]
_cell_length_b [29.2442]
_cell_length_c [6.1257]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001624383 | Ba2HgRhSi | data_[Ba2Si1Hg1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.0972]
_cell_length_b [6... |
agm004909786 | F8K2NaSn | data_[K2Na1Sn1F8]
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
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2039]
_cell_length_b [7.2773]... |
agm002444114 | BaCdI3 | data_[Ba1Cd1I3]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.7726]
_cell_length_b [6.7726]
_cell_length_c [6.7726]
_cel... |
agm002706952 | AlAu2N | data_[Al4Au8N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1368]
_cell_length_b [6.1368]
_cell_length_c [6.1368]
_cel... |
oqmd-2866215 | AgLiNiTe | data_[Li4Ni4Ag4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4032]
_cell_length_b [6.... |
agm001985568 | HoPdPt2 | data_[Ho4Pd4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6148]
_cell_length_b [6.6148]
_cell_length_c [6.6148]
_c... |
agm003732988 | Ga3SiTb | data_[Tb2Ga6Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.8068]
_cell_length_b [4.3688]
_cell_length_c [7.2689]
_ce... |
agm003012797 | Au2Pt2Sb | data_[Sb2Pt4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.9637]
_cell_length_b [6.9637]
_cell_length_c [3.9309]
_... |
mp-1212935 | F5GaPb | data_[Ga16Pb16F80]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [14.7534]
_cell_length_b [14.7534]
_cell_length_c [7.5105]
_c... |
agm002791577 | As2OsSn | data_[Sn4As8Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.0591]
_cell_length_b [6.0591]
_cell_length_c [11.2699]
_... |
agm003688233 | Ho6S12Si | data_[Ho18Si3S36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6096]
_cell_length_b [11.6096]
_cell_length_c [11.0171]
_... |
agm001137121 | GaInSm2 | data_[Sm2In1Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7077]
_cell_length_b [3.7077]
_cell_length_c [7.6298]
_... |
oqmd-8898990 | O4TeZr | data_[Zr4Te4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6380]
_cell_length_b [3.8181]
_cell_length_c [6.1786]
_ce... |
agm004352351 | Al2CoK | data_[K3Al6Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2277]
_cell_length_b [4.2277]
_cell_length_c [18.8308]
_cel... |
agm003658662 | Ge4HPm5 | data_[Pm10Ge8H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.3594]
_cell_length_b [9.3594]
_cell_length_c [5.9746]
_cell_... |
agm003118691 | NiSeSr | data_[Sr4Ni4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.2605]
_cell_length_b [8.6586]
_cell_length_c [4.5052]
_ce... |
agm001316431 | CoPmSnY | data_[Pm4Y4Co4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
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 [7.2980]
_cell_length_b [7.29... |
agm003767332 | SmTb6Zn | data_[Tb18Sm3Zn3]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.3171]
_cell_length_b [9.3171]
_cell_length_c [9.7736]
_ce... |
agm004097363 | BeCrCu | data_[Be2Cr2Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.4093]
_cell_length_b [3.7039]
_cell_length_c [7.4901]
_ce... |
agm004075157 | AlSrTe2 | data_[Sr2Al2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.9556]
_cell_length_b [8.1790]
_cell_length_c [4.1935]
_ce... |
agm005671550 | DySmTe | data_[Sm4Dy4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [9.7324]
_cell_length_b [9.7324]
_cell_length_c [4.2520]
_... |
agm003436915 | Cd2HgSr3 | data_[Sr3Cd2Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0512]
_cell_length_b [4.0512]
_cell_length_c [12.0574]
... |
agm004345483 | OsPt2Tc | data_[Tc2Os2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9161]
_cell_length_b [3.9161]
_cell_length_c [7.7823]
_c... |
agm001330493 | CdCeCoHo | data_[Ce4Ho4Cd4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1681]
_cell_length_b [7.... |
agm004543291 | As2Cr2NNa2 | data_[Na4Cr4As4N2]
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
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8920]
_cell_length_b [3.8... |
agm004516615 | Ba2Pt4Sn3Th | data_[Ba2Th1Sn3Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.8412]
_cell_length_b [4.... |
agm005112718 | CuEr2Tb | data_[Tb3Er6Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6256]
_cell_length_b [3.6256]
_cell_length_c [28.8045]
_ce... |
agm005987524 | Hg5InRb2 | data_[Rb2In1Hg5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.8648]
_cell_length_b [5.1847]
_cell_length_c [8.3373]
_cell... |
agm005450202 | BrSc4W | data_[Sc16W4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.1312]
_cell_length_b [8.1312]
_cell_length_c [8.1312]
_ce... |
agm005063670 | BiGeNdO5 | data_[Nd4Ge4Bi4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.8140]
_cell_length_b [9.85... |
agm005209823 | AlIrNPm | data_[Pm2Al2Ir2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9443]
_cell_length_b [3.9... |
agm001441076 | BCdCsH2 | data_[Cs1Cd1B1H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cd 1.6900 1.5500 1.0900
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4865]
_cell_length_b [4.486... |
oqmd-6396738 | Br6GaIn2V | data_[V4In8Ga4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8907]
_cell_length_b [10... |
agm004043796 | AuMgRe | data_[Mg2Re2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Re 1.9000 1.3500 0.7125
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [2.7426]
_cell_length_b [2.7426]
_cell_length_c [13.1478]
_c... |
agm001839311 | ReScV | data_[Sc2V2Re2]
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
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.1499]
_cell_length_b [3.1499]
_cell_length_c [10.0501]
_cel... |
agm005684554 | Ca2Pd3Zn | data_[Ca6Zn3Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6462]
_cell_length_b [5.6462]
_cell_length_c [12.4935]
_c... |
agm005171319 | Au5CaGa2Sc | data_[Ca1Sc1Ga2Au5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3988]
_cell_length_b [4... |
agm002700449 | GaMn2Pb | data_[Mn8Ga4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5554]
_cell_length_b [6.5554]
_cell_length_c [6.5554]
_c... |
agm002205401 | CdCo2 | data_[Cd4Co8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4378]
_cell_length_b [3.8928]
_cell_length_c [8.0329]
_cell_angle_alpha [90.0000]
_cell_a... |
oqmd-8082500 | LaPdTl | data_[La2Tl2Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2633]
_cell_length_b [5.2633]
_cell_length_c [6.4517]... |
agm003816528 | BeCuP2 | data_[Be4Cu4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8520]
_cell_length_b [5.8520]
_cell_length_c [5.8520]
_cel... |
agm003791551 | Rh2SbTa | data_[Ta3Sb3Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.0340]
_cell_length_b [3.0340]
_cell_length_c [26.0573]
_ce... |
agm005488865 | CP | data_[P4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4092]
_cell_length_b [2.9154]
_cell_length_c [5.0385]
_cell_angle_alpha [90.0000]
_cell_angle... |
agm003810903 | CrHgTe2 | data_[Cr2Hg2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3831]
_cell_length_b [8.3959]
_cell_length_c [4.5626]
_ce... |
agm005953468 | Ho2SnZn2 | data_[Ho4Zn4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1116]
_cell_length_b [7.1116]
_cell_length_c [4.4491]
_... |
agm004208635 | BaCdSc | data_[Ba2Sc2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8513]
_cell_length_b [3.8513]
_cell_length_c [13.3694]
_c... |
agm003769939 | CeErHo6 | data_[Ce1Ho6Er1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9825]
_cell_length_b [4.9825]
_cell_length_c [9.9480]
_... |
agm003776365 | Au6LaSn | data_[La1Sn1Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [5.5707]
_cell_length_b [5.5707]
_cell_length_c [5.5707]
_ce... |
agm004869115 | ErHo4Sc2Y | data_[Y4Ho16Er4Sc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.6354]
_cell_length_b [11.4... |
agm005814647 | LaNd3Sc2 | data_[La4Nd12Sc8]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [14.5456]
_cell_length_b [9.9630]
_cell_length_c [5.5337]
_... |
agm003498270 | Ba6CdIr2 | data_[Ba12Cd2Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5287]
_cell_length_b [6.1258]
_cell_length_c [10.7348]
... |
agm003526827 | Cu2La8Pt | data_[La16Cu4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8259]
_cell_length_b [5.2692]
_cell_length_c [6.9955]
_... |
mp-2715919 | Ge4Na10O48S5Sc4Si7 | data_[Na30Sc12Si21Ge12S15O144]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_spac... |
agm002828926 | AuFe2La | data_[La4Fe8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.5009]
_cell_length_b [4.5009]
_cell_length_c [18.2850... |
agm003829787 | CuSe2Sr | data_[Sr1Cu1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6422]
_cell_length_b [3.6422]
_cell_length_c [6.8311]
_... |
agm002787410 | AlClCo2 | data_[Al4Co8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.9984]
_cell_length_b [3.9984]
_cell_length_c [14.7076]
_... |
agm004223487 | Ru2TlW | data_[Tl2Ru4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ru 2.2000 1.3000 0.6610
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.0836]
_cell_length_b [7.0638]
_cell_length_c [3.0402]
_cell... |
oqmd-4081563 | AsOTlU | data_[U2Tl2As2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1800]
_cell_length_b [4.180... |
agm004021691 | AlCaPt | data_[Ca2Al2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.3606]
_cell_length_b [3.3606]
_cell_length_c [10.8198]
_c... |
agm005959135 | Hg2PaS2 | data_[Pa3Hg6S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0524]
_cell_length_b [4.0524]
_cell_length_c [36.1098]
_cel... |
agm005866427 | Ga3Nb12Sn | data_[Nb12Ga3Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [5.2411]
_cell_length_b [5.2470]
_cell_length_c [10.4261]
_... |
agm001572872 | ClMo2SnTc | data_[Tc1Sn1Mo2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3395]
_cell_length_b [4... |
oqmd-8944726 | Rh2Sc3Si3 | data_[Sc12Si12Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0309]
_cell_length_b [10.2623]
_cell_length_c [13.0353]... |
oqmd-5361385 | ErLiO2 | data_[Li3Er3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3074]
_cell_length_b [3.3074]
_cell_length_c [14.8835]
_cel... |
agm004523113 | Ni4P3RuTb2 | data_[Tb2Ni4P3Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.8397]
_cell_length_b [3.83... |
agm005448189 | AuFeZr4 | data_[Zr16Fe4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9587]
_cell_length_b [7.9587]
_cell_length_c [7.9587]
_... |
agm006034311 | Ho5LaRu4 | data_[La1Ho5Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3965]
_cell_length_b [3.3965]
_cell_length_c [19.4977]
... |
agm2000047417 | PV | data_[V3P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [4.5995]
_cell_length_b [4.5995]
_cell_length_c [17.0078]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm003311992 | Ca2Hg2Pm3 | data_[Ca4Pm6Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pm 1.1300 1.8500 1.1100
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0232]
_cell_length_b [4.7308]
_cell_length_c [8.6783]
_c... |
agm003938295 | ClTc2Y | data_[Y1Tc2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tc 1.9000 1.3500 0.7417
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.1517]
_cell_length_b [4.7525]
_cell_length_c [5.5245]
_cell... |
oqmd-7857382 | Ga2Ru | data_[Ga8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8937]
_cell_length_b [5.8937]
_cell_length_c [5.8937]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-6093174 | In2La3Mg3Pt | data_[La3Mg3In2Pt1]
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
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6594]
_cell_length_b [7.... |
agm005126868 | ClHo2N | data_[Ho6N3Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5207]
_cell_length_b [3.5207]
_cell_length_c [20.3376]
_cell... |
agm005694739 | Er3Tm5Y4 | data_[Y4Er3Tm5]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0933]
_cell_length_b [7.0516]
_cell_length_c [8.6168]
_cell_... |
agm004358536 | AgK2Pt | data_[K4Ag2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4388]
_cell_length_b [3.0331]
_cell_length_c [5.9778]
_cell_... |
agm004964251 | O6Rb2ReTb | data_[Rb8Tb4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tb 1.1000 1.7500 0.9815
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 [8.4424]
_cell_length_b [8.4... |
agm002355255 | ErRhSe3Tl | data_[Er4Tl4Rh4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0161]
_cell_length_b [15... |
agm005241428 | Cs3O14Ta5 | data_[Cs12Ta20O56]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.5352]
_cell_length_b [26.7012]
_cell_length_c [7.4915]
_... |
agm003885192 | Co2MnW | data_[Mn1Co2W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.5977]
_cell_length_b [3.6012]
_cell_length_c [5.1404]
_cell... |
oqmd-7915416 | CuErSe2 | data_[Er4Cu4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.9138]
_cell_length_b [5.9138]
_cell_length_c [12.1748]
_... |
agm005129944 | CuEr2Ge2Rh5 | data_[Er4Cu2Ge4Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.6981]
_cell_length_b [... |
agm004905327 | AcCr2O8Re | data_[Ac2Cr4Re2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4087]
_cell_length_b [6.46... |
agm005625084 | Al2Au3Cu7 | data_[Al2Cu7Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.3223]
_cell_length_b [2.8019]
_cell_length_c [14.2345]
_c... |
agm004287419 | Mo2RhY | data_[Y2Mo4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3534]
_cell_length_b [9.7107]
_cell_length_c [2.8709]
_cell... |
agm004568490 | Dy2Pd4Tm2Zn | data_[Dy4Tm4Zn2Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.8021]
_cell_length_b [6... |
agm001114469 | Cr2GeRe | data_[Cr2Re1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0639]
_cell_length_b [3.0639]
_cell_length_c [5.6022]
_... |
agm003692354 | Cl12SbTl6 | data_[Tl18Sb3Cl36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.7467]
_cell_length_b [13.7467]
_cell_length_c [12.9247]... |
agm002220696 | EuK2Mg | data_[K8Eu4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2305]
_cell_length_b [9.2305]
_cell_length_c [9.2305]
_cel... |
agm002750852 | TaW2Y | data_[Y4Ta4W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ta 1.5000 1.4500 0.8200
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7040]
_cell_length_b [6.7040]
_cell_length_c [6.7040]
_cell_... |
agm004394258 | Al2CuSb | data_[Al2Cu1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9319]
_cell_length_b [3.9319]
_cell_length_c [4.7818]
_... |
agm005078383 | AlMnO6Te | data_[Mn2Al2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.0139]
_cell_length_b [5.0... |
agm001296151 | AgLuPtY | data_[Y4Lu4Ag4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0396]
_cell_length_b [7.03... |
agm004699364 | Pa3PmTe8Tl3 | data_[Pm3Pa9Tl9Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pa 1.5000 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7317]
_cell_length_b [8.... |
agm003622836 | ErPdSc2 | data_[Er4Sc8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5816]
_cell_length_b [11.7154]
_cell_length_c [8.8460]
_c... |
agm004050186 | PPtSi2 | data_[Si4P2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7102]
_cell_length_b [4.6912]
_cell_length_c [9.3771]
_cell... |
agm003365908 | Co5Ga4Mg2 | data_[Mg8Ga16Co20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.1313]
_cell_length_b [8.6668]
_cell_length_c [15.0218]
... |
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