Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm005124106 | Sb2ThTm | data_[Tm3Th3Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Th 1.3000 1.8000 1.0800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3691]
_cell_length_b [4.3691]
_cell_length_c [22.6467]
_ce... |
agm004484792 | AlF6HRb2 | data_[Rb4Al2H2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1930]
_cell_length_b [5.19... |
agm005789497 | Cl4GaTm | data_[Tm2Ga2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9008]
_cell_length_b [4.0053]
_cell_length_c [7.7216]
_c... |
agm002834280 | GeIr2Te | data_[Ge4Te4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.5263]
_cell_length_b [5.5263]
_cell_length_c [12.2009]
_... |
agm004227655 | Ir2LaP | data_[La2P2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0427]
_cell_length_b [4.0427]
_cell_length_c [8.9774]
_cel... |
agm002590255 | PtSc3Tc | data_[Sc3Tc1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tc 1.9000 1.3500 0.7417
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9754]
_cell_length_b [4.9754]
_cell_length_c [4.9754]
_c... |
agm005655202 | Rh9Sn6Sr2 | data_[Sr2Sn6Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.9361]
_cell_length_b [5.9361]
_cell_length_c [12.1713]
... |
agm001698409 | AlBF2O | data_[Al1B1O1F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5337]
_cell_length_b [4.5337]... |
oqmd-8491799 | EuIS | data_[Eu6S6I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7460]
_cell_length_b [4.7460]
_cell_length_c [33.1870]
_cell_... |
agm001443381 | LaN2PSc | data_[La1Sc1P1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0812]
_cell_length_b [4.081... |
agm005922518 | HfPtRh3 | data_[Hf4Pt4Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7245]
_cell_length_b [4.1652]
_cell_length_c [5.5358]
_... |
agm005458910 | Li4MgRe | data_[Li16Mg4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1083]
_cell_length_b [7.1083]
_cell_length_c [7.1083]
_... |
agm002804127 | BrCd2Sn | data_[Cd8Sn4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.7776]
_cell_length_b [6.7776]
_cell_length_c [12.9199]
_... |
agm004224513 | CaPSr | data_[Sr2Ca2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.7487]
_cell_length_b [3.7487]
_cell_length_c [13.7783]
_cel... |
agm003461001 | Au2TlTm4 | data_[Tm12Tl3Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7942]
_cell_length_b [4.7942]
_cell_length_c [29.2445]
_... |
agm005654496 | Cu2Li5Zn5 | data_[Li10Zn10Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5222]
_cell_length_b [4.3948]
_cell_length_c [11.2851]
... |
agm005501430 | Pt2Ru | data_[Ru3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6098]
_cell_length_b [7.6098]
_cell_length_c [2.7459]
_cell_angle_alpha [90.0000]
_cell_... |
agm003962757 | BrNiSe | data_[Ni2Se2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.0581]
_cell_length_b [3.0581]
_cell_length_c [15.6100]
_c... |
agm004144736 | CaLa2Mg | data_[Ca4La8Mg4]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.1955]
_cell_length_b [8.1955]
_cell_length_c [8.1955]
_c... |
oqmd-9598379 | AlOPYb | data_[Yb2Al2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0105]
_cell_length_b [4.010... |
agm004538541 | PbPd4Sb3Sr2 | data_[Sr2Sb3Pd4Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7081]
_cell_length_b [4.... |
agm004882402 | Ga2I8InSn | data_[In1Ga2Sn1I8]
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
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.5722]
_cell_length_b [7.5722... |
agm002448902 | ClKSc3 | data_[K1Sc3Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3403]
_cell_length_b [5.3403]
_cell_length_c [5.3403]
_cel... |
agm003972763 | Ni2TaZn | data_[Ta1Zn1Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7429]
_cell_length_b [3.5288]
_cell_length_c [5.5733]
_ce... |
agm003538482 | AgNi9Pr2 | data_[Pr6Ni27Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9908]
_cell_length_b [4.9908]
_cell_length_c [24.5075]
_... |
agm004530075 | Ag3Ca2MgZn4 | data_[Ca2Mg1Zn4Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1049]
_cell_length_b [4.... |
agm004865186 | LaNd4Pm2Th | data_[La1Pm2Nd4Th1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3313]
_cell_length_b [3.6... |
agm005819153 | Be16Hf2Ir | data_[Hf6Be48Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.6275]
_cell_length_b [7.6275]
_cell_length_c [11.0557]
_c... |
agm001510670 | GeSbTi2W | data_[Ti2Ge1Sb1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8561]
_cell_length_b [4.8... |
agm001436352 | ILaSSi2 | data_[La1Si2S1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1952]
_cell_length_b [5.195... |
agm001340713 | CuLaNiSc | data_[La4Sc4Cu4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8584]
_cell_length_b [6.... |
agm001448880 | BHf2PPb | data_[Hf2B1P1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8845]
_cell_length_b [4.884... |
agm002173781 | O4Se3Yb4 | data_[Yb8Se6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9434]
_cell_length_b [4.1052]
_cell_length_c [13.7838]
_cel... |
agm001583745 | AlCrInRb2 | data_[Rb2Al1Cr1In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.9006]
_cell_length_b [6... |
agm005196259 | AcNdPrTh | data_[Ac1Pr1Nd1Th1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7112]
_cell_length_b [3.7... |
agm002824632 | FTaTe2 | data_[Ta4Te8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.5378]
_cell_length_b [6.5378]
_cell_length_c [10.9453]
_ce... |
agm003957131 | RuSrTe2 | data_[Sr1Te2Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2178]
_cell_length_b [5.2178]
_cell_length_c [3.6098]
_... |
agm004791179 | Al2CeIr4Si | data_[Ce3Al6Si3Ir12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2462]
_cell_length_b [4.... |
agm001510795 | CrCuRhTl2 | data_[Tl2Cr1Cu1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9245]
_cell_length_b [4... |
agm001436513 | PtRbSn2Ti | data_[Rb1Ti1Sn2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3379]
_cell_length_b [5... |
agm002713043 | InNb2Os | data_[Nb8In4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
In 1.7800 1.5500 0.9400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5860]
_cell_length_b [6.5860]
_cell_length_c [6.5860]
_c... |
agm003318409 | Ag7Au2Sn2 | data_[Ag14Sn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6012]
_cell_length_b [9.8511]
_cell_length_c [5.1137]
_c... |
agm003624663 | C2ErRe | data_[Er4Re4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Re 1.9000 1.3500 0.7125
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6070]
_cell_length_b [3.3135]
_cell_length_c [10.7913]
_cel... |
agm004186260 | IrKMg2 | data_[K2Mg4Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1016]
_cell_length_b [4.3794]
_cell_length_c [16.2426]
_cel... |
agm003708195 | PmSbTe3 | data_[Pm4Sb4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5817]
_cell_length_b [4.4697]
_cell_length_c [8.4421]
_... |
agm004455414 | AsSi | data_[Si4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.6015]
_cell_length_b [5.6015]
_cell_length_c [4.9952]
_cell_angle_alpha [90.0000]
_ce... |
agm004930472 | AuH6PdTl2 | data_[Tl4H12Pd2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1515]
_cell_length_b [7.1470... |
agm001428725 | BeIrRhTa2 | data_[Ta2Be1Ir1Rh1]
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
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 [4.3248]
_cell_length_b [4... |
agm003610751 | ClDyS | data_[Dy16S16Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.8508]
_cell_length_b [13.0485]
_cell_length_c [8.4523]
... |
agm005601118 | Hg2Se3Tl6 | data_[Tl12Hg4Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8978]
_cell_length_b [13.7319]
_cell_length_c [7.8496]
_... |
agm003657272 | C4PaPm5 | data_[Pm10Pa2C8]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2640]
_cell_length_b [3.6756]
_cell_length_c [7.4845]
_ce... |
agm001183823 | Au4RhTh | data_[Th4Rh4Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8035]
_cell_length_b [7.8035]
_cell_length_c [7.8035]
_... |
agm001275182 | CaCeNd | data_[Ca1Ce1Nd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6430]
_cell_length_b [3.6430]
_cell_length_c [9.1903]
_ce... |
agm003673399 | Na5S5Sb | data_[Na10Sb2S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0153]
_cell_length_b [5.4991]
_cell_length_c [7.8494]
_c... |
agm005810028 | NPm6Tl2 | data_[Pm24Tl8N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tl 1.6200 1.9000 1.3325
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0392]
_cell_length_b [10.0392]
_cell_length_c [10.0392]
... |
agm004608345 | Dy2Er3Se6Sm | data_[Sm2Dy4Er6Se12]
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
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7698]
_cell_length_b [4... |
agm001351563 | AgPdTlTm | data_[Tm4Tl4Ag4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9048]
_cell_length_b [6.... |
oqmd-8725602 | F6NOsSe2 | data_[Os2Se4N2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2899]
_cell_length_b [5.9308... |
agm003299225 | CdHo5 | data_[Ho10Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1767]
_cell_length_b [3.7147]
_cell_length_c [8.4689]
_cell_angle_alpha [90.0000]
_cell... |
agm005407701 | Br3Cd2 | data_[Cd2Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3282]
_cell_length_b [5.3282]
_cell_length_c [5.8110]
_cell_angle_alpha [90.0000]
_cell_... |
agm002369139 | CaGe2Th | data_[Ca2Th2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9346]
_cell_length_b [4.9346]
_cell_length_c [7.9604]
_... |
agm2000106667 | BrI3Ni2 | data_[Ni4I6Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [20.5050]
_cell_length_b [3.6128]
_cell_length_c [16.0364]
_ce... |
agm003863534 | KReW2 | data_[K2Re2W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8425]
_cell_length_b [5.3389]
_cell_length_c [10.3079]
_cell_... |
agm001842230 | InPbPu | data_[Pu2In2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5877]
_cell_length_b [3.5877]
_cell_length_c [12.9471]
_c... |
agm2000145756 | I6PbSe | data_[Pb1Se1I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.7557]
_cell_length_b [7.7557]
_cell_length_c [18.4179]
_cel... |
agm004991797 | AcNPmTe2 | data_[Ac2Pm2Te4N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5186]
_cell_length_b [4.5... |
agm001301458 | AlGdLiPt | data_[Li4Gd4Al4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6428]
_cell_length_b [6.... |
agm001358229 | HoNiPdTm | data_[Ho4Tm4Ni4Pd4]
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
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8462]
_cell_length_b [6.... |
agm003632982 | PdPt2Sm | data_[Sm4Pd4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.5518]
_cell_length_b [8.6754]
_cell_length_c [8.0837]
_ce... |
agm001476290 | AsC2KS | data_[K1As1C2S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1067]
_cell_length_b [4.1067]... |
agm001005347 | CaClO | data_[Ca2Cl2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6753]
_cell_length_b [4.6753]
_cell_length_c [4.9152]
_ce... |
agm004348445 | AgTeZn2 | data_[Zn2Ag1Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8897]
_cell_length_b [4.0130]
_cell_length_c [5.3547]
_ce... |
agm005869379 | Cr3Ni12Ti | data_[Ti1Cr3Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [3.5624]
_cell_length_b [3.5624]
_cell_length_c [14.3094]... |
agm003338581 | Ac3Cd2Pb4 | data_[Ac6Cd4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8742]
_cell_length_b [5.0415]
_cell_length_c [10.0580]
_... |
agm002415257 | Be3MgSb | data_[Mg1Be3Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Be 1.5700 1.0500 0.5900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5219]
_cell_length_b [4.5219]
_cell_length_c [4.5219]
_c... |
oqmd-6783069 | Cd2GdHg | data_[Gd4Cd8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.9789]
_cell_length_b [11.4379]
_cell_length_c [6.7086]
_c... |
oqmd-5979980 | Cr6Ni7 | data_[Cr18Ni21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5632]
_cell_length_b [4.5632]
_cell_length_c [24.2050]
_cell_angle_alpha [90.0000]
_cel... |
agm001659144 | Ba2HgNiRb | data_[Rb1Ba2Ni1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Ni 1.9100 1.3500 0.7400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1238]
_cell_length_b [6... |
agm001593815 | BeS2TlZn | data_[Be1Tl1Zn1S2]
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
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3203]
_cell_length_b [5.3... |
oqmd-8995362 | FeMnNd2O6 | data_[Nd4Mn2Fe2O12]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4346]
_cell_length_b [5.... |
agm004074448 | Ba2BeHg | data_[Ba4Be2Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Be 1.5700 1.0500 0.5900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0342]
_cell_length_b [5.8384]
_cell_length_c [10.8989]
_c... |
agm005498932 | AuSb3 | data_[Sb12Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.8488]
_cell_length_b [11.6163]
_cell_length_c [4.3880]
_cell_angle_alpha [90.0000]
_cell... |
agm005264294 | CoMg6Si | data_[Mg12Co2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6597]
_cell_length_b [6.1095]
_cell_length_c [10.4407]
_... |
agm003606281 | AsKNa | data_[K2Na2As2]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.5270]
_cell_length_b [5.5270]
_cell_length_c [8.3873]
_cel... |
agm005439655 | BaBeOs4 | data_[Ba4Be4Os16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Be 1.5700 1.0500 0.5900
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6092]
_cell_length_b [7.6092]
_cell_length_c [7.6092]
_... |
oqmd-3473259 | LuPdZn | data_[Lu4Zn4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3721]
_cell_length_b [6.3721]
_cell_length_c [6.3721]
_c... |
agm003822418 | BrCa2Cu | data_[Ca6Cu3Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0636]
_cell_length_b [4.0636]
_cell_length_c [23.4939]
_c... |
agm003701815 | Ac12CdSi7 | data_[Ac36Cd3Si21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cd 1.6900 1.5500 1.0900
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [16.0636]
_cell_length_b [16.0636]
_cell_length_c [9.5022]
... |
agm002680430 | Ge2HSb | data_[Ge8Sb4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7197]
_cell_length_b [6.7197]
_cell_length_c [6.7197]
_cel... |
agm001987201 | GaLuZn2 | data_[Lu3Zn6Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2304]
_cell_length_b [4.2304]
_cell_length_c [14.6269]
_c... |
agm004337003 | Br2FeTa | data_[Ta1Fe1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0537]
_cell_length_b [4.4544]
_cell_length_c [5.7765]
_ce... |
agm001610431 | AuFe2HZn | data_[Zn1Fe2H1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7135]
_cell_length_b [3.7... |
agm002933828 | CdLa2N2 | data_[La4Cd2N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3875]
_cell_length_b [4.3875]
_cell_length_c [12.9685]
_c... |
agm002103378 | FeNTa | data_[Ta1Fe1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0275]
_cell_length_b [3.0275]
_cell_length_c [3.8341]
_ce... |
agm003918525 | BrLaMo2 | data_[La1Mo2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mo 2.1600 1.4500 0.7750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3170]
_cell_length_b [3.3170]
_cell_length_c [8.3345]
_ce... |
oqmd-9796237 | Ag2GaHf2In | data_[Hf8In4Ga4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [11.0332]
_cell_length_b [4.50... |
agm002440921 | CaIOs3 | data_[Ca1Os3I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Os 2.2000 1.3000 0.6730
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9698]
_cell_length_b [4.9698]
_cell_length_c [4.9698]
_cel... |
agm003501600 | Cs2I6Sc | data_[Cs2Sc1I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sc 1.3600 1.6000 0.8850
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [11.2587]
_cell_length_b [11.2587]
_cell_length_c [3.8758]
_c... |
agm002511155 | Hg3KLi | data_[K1Li1Hg3]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2728]
_cell_length_b [5.2728]
_cell_length_c [5.2728]
_cel... |
agm003715547 | HfNbS3 | data_[Hf4Nb4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4377]
_cell_length_b [19.7630]
_cell_length_c [6.0962]
_... |
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