Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003716325 | Hg3SrZn | data_[Sr2Zn2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.7503]
_cell_length_b [4.7503]
_cell_length_c [11.6183]
_c... |
agm001423976 | BCLa2Pt | data_[La2B1Pt1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5496]
_cell_length_b [5.549... |
agm004497443 | F12MgRb2V3 | data_[Rb6Mg3V9F36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4606]
_cell_length_b [7.4606... |
agm001290437 | AcClGePm | data_[Ac4Pm4Ge4Cl4]
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
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5099]
_cell_length_b [7.... |
agm002420722 | Be3KNa | data_[K1Na1Be3]
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
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1056]
_cell_length_b [5.1056]
_cell_length_c [5.1056]
_cel... |
agm003109009 | AgNSr | data_[Sr4Ag4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8609]
_cell_length_b [3.5277]
_cell_length_c [9.9510]
_cell... |
agm005086530 | AgCuF6Zr | data_[Zr2Cu2Ag2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.7211]
_cell_length_b [5.7... |
agm004045396 | Ba2HgPb | data_[Ba4Hg2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1761]
_cell_length_b [4.3545]
_cell_length_c [8.2087]
_c... |
agm002817504 | Co2OsTl | data_[Tl4Co8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.9422]
_cell_length_b [6.9422]
_cell_length_c [5.4589]
_c... |
agm003687307 | Ce12GeRh6 | data_[Ce36Ge3Rh18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1102]
_cell_length_b [12.1102]
_cell_length_c [12.2435]... |
agm006108611 | AsBr5Pu4 | data_[Pu8As2Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1477]
_cell_length_b [4.1009]
_cell_length_c [8.4674]
_... |
agm001239334 | AuDyNd | data_[Nd4Dy4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1518]
_cell_length_b [7.1518]
_cell_length_c [7.1518]
_c... |
mp-1186260 | AuNd3 | data_[Nd6Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.0593]
_cell_length_b [7.0593]
_cell_length_c [5.3606]
_cell_angle_alpha [90.0000]
_ce... |
agm004243395 | Ba2LaPb | data_[Ba6La3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0948]
_cell_length_b [4.0948]
_cell_length_c [37.2726]
_c... |
agm004331503 | KY3 | data_[K2Y6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7517]
_cell_length_b [6.2692]
_cell_length_c [12.4044]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm005017389 | LaPt2TiZn | data_[La2Ti2Zn2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0748]
_cell_length_b [4.... |
agm004844204 | Ac4I2PPb | data_[Ac4P1Pb1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1681]
_cell_length_b [4.6381]... |
agm003292519 | La4Se5 | data_[La8Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9146]
_cell_length_b [8.9967]
_cell_length_c [14.5323]
_cell_angle_alpha [90.0000]
_cell... |
agm004339865 | OsPbTl2 | data_[Tl4Os2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Os 2.2000 1.3000 0.6730
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9519]
_cell_length_b [10.3984]
_cell_length_c [3.5337]
_c... |
oqmd-2626257 | BiCdCuRe | data_[Cd4Cu4Re4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
Re 1.9000 1.3500 0.7125
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6798]
_cell_length_b [6.... |
agm001298500 | AgLiPtTl | data_[Li4Tl4Ag4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
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 [6.5672]
_cell_length_b [6.... |
oqmd-2640550 | AuFeGePd | data_[Fe4Ge4Pd4Au4]
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
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2944]
_cell_length_b [6.... |
mp-1203093 | Ca7O40Si16 | data_[Ca7Si16O40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.8296]
_cell_length_b [9.8439]
_cell_length_c [12.5523]
_ce... |
agm005754553 | Be17VY | data_[Y3Be51V3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Be 1.5700 1.0500 0.5900
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4841]
_cell_length_b [7.4841]
_cell_length_c [10.9173]
_cell_... |
agm2000115439 | Rh3Te4 | data_[Te8Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.7569]
_cell_length_b [9.4122]
_cell_length_c [19.8399]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-8893368 | BeKS3Sc | data_[K4Sc4Be4S12]
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
Be 1.5700 1.0500 0.5900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6842]
_cell_length_b [14.147... |
agm003617047 | NpPtSi2 | data_[Np8Si16Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2980]
_cell_length_b [8.4382]
_cell_length_c [16.0480]
_... |
agm003933412 | Ag2AlZr | data_[Zr2Al2Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4078]
_cell_length_b [3.0005]
_cell_length_c [5.4563]
_cell... |
agm003984703 | ClRu2Tc | data_[Tc2Ru4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.8124]
_cell_length_b [4.9239]
_cell_length_c [8.7186]
_ce... |
agm003559812 | AuSe3Sm4 | data_[Sm8Au2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.5409]
_cell_length_b [11.9413]
_cell_length_c [4.1275]
_c... |
agm005630429 | Ho6TbTm2 | data_[Tb4Ho24Tm8]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2190]
_cell_length_b [11.5628]
_cell_length_c [8.9311]
... |
agm003678858 | Nd5Tb6Tm | data_[Tb12Nd10Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2480]
_cell_length_b [10.8172]
_cell_length_c [11.9243]... |
oqmd-9589526 | NNb | data_[Nb2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.1895]
_cell_length_b [3.1895]
_cell_length_c [6.0480]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005210552 | CdMgSrTb | data_[Sr1Tb1Mg1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9474]
_cell_length_b [3.9... |
agm001960665 | AlAs2Eu | data_[Eu3Al3As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5645]
_cell_length_b [3.5645]
_cell_length_c [27.7450]
_c... |
agm005930676 | HN2Na2 | data_[Na6H3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
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 [3.3804]
_cell_length_b [3.3804]
_cell_length_c [21.5364]
_cell_... |
agm005145347 | IrO5Pr2Rb | data_[Rb2Pr4Ir2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.9738]
_cell_length_b [6.... |
agm005783457 | IrLiO4 | data_[Li4Ir4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [4.5288]
_cell_length_b [5.4949]
_cell_length_c [10.5328]
_ce... |
agm003570826 | La3O6Y | data_[La18Y6O36]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1718]
_cell_length_b [10.1718]
_cell_length_c [11.8634]
_ce... |
agm005072831 | Au6BaCdSn | data_[Ba4Cd4Sn4Au24]
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
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7965]
_cell_length_b [9.... |
mp-631498 | BaMgOs2 | data_[Ba4Mg4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8370]
_cell_length_b [6.8370]
_cell_length_c [6.8370]
_c... |
agm002573280 | PPtRu3 | data_[P1Ru3Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7742]
_cell_length_b [4.7742]
_cell_length_c [4.7742]
_cel... |
agm004132829 | Fe2MnP | data_[Mn3Fe6P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.5694]
_cell_length_b [2.5694]
_cell_length_c [22.4433]
_cel... |
agm003731752 | BaBiPb3 | data_[Ba4Bi4Pb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.1756]
_cell_length_b [6.1756]
_cell_length_c [23.6155]
... |
agm002187600 | HgHo2Si | data_[Ho8Si4Hg4]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1979]
_cell_length_b [7.1979]
_cell_length_c [7.1979]
_c... |
agm001971313 | GdOsTm2 | data_[Gd3Tm6Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Tm 1.2500 1.7500 1.0950
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3863]
_cell_length_b [3.3863]
_cell_length_c [32.3007]
_c... |
agm001982981 | ILa2Sm | data_[La6Sm3I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8661]
_cell_length_b [3.8661]
_cell_length_c [33.1422]
_cel... |
agm005722567 | Li3MgZn | data_[Li12Mg4Zn4]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3438]
_cell_length_b [18.1840]
_cell_length_c [4.5095]
_... |
oqmd-5832675 | B4NbRe | data_[Nb2Re2B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0374]
_cell_length_b [5.2461]
_cell_length_c [6.8039]
_cell... |
agm005986869 | CdHo4Sm3 | data_[Sm3Ho4Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5813]
_cell_length_b [3.5813]
_cell_length_c [19.2055]
... |
agm003517966 | CeEr8Tm2 | data_[Ce2Er16Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9166]
_cell_length_b [6.8279]
_cell_length_c [5.4763]
_... |
agm001991483 | CuErNi2 | data_[Er3Cu3Ni6]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0869]
_cell_length_b [4.0869]
_cell_length_c [13.1613]
_c... |
oqmd-5327284 | F2MgO2 | data_[Mg2O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9617]
_cell_length_b [2.8769]
_cell_length_c [7.7711]
_cell_a... |
agm005504673 | Br4Cu5 | data_[Cu10Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.3074]
_cell_length_b [10.3074]
_cell_length_c [3.5496]
_cell_angle_alpha [90.0000]
_c... |
agm006027131 | P2Pt4Sm | data_[Sm2P4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.9423]
_cell_length_b [7.9423]
_cell_length_c [3.7219]
_... |
agm005663310 | BiHTb | data_[Tb2Bi2H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Bi 2.0200 1.6000 1.0350
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6125]
_cell_length_b [3.6125]
_cell_length_c [12.1403]
_ce... |
agm001107906 | NaNd3Rh | data_[Na1Nd3Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6275]
_cell_length_b [5.6275]
_cell_length_c [5.6275]
_c... |
agm005594903 | TbThZn10 | data_[Tb1Th1Zn10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Th 1.3000 1.8000 1.0800
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2231]
_cell_length_b [5.3835]
_cell_length_c [9.2633]
_c... |
agm001525439 | IMg2SrTi | data_[Sr1Mg2Ti1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5530]
_cell_length_b [5.5... |
agm006081595 | NaPa5S12 | data_[Na2Pa10S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pa 1.5000 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.0862]
_cell_length_b [9.8397]
_cell_length_c [10.5971]
_c... |
oqmd-9127155 | Lu2Mo4N3Pb3 | data_[Lu8Mo16Pb12N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mo 2.1600 1.4500 0.7750
Pb 2.3300 1.8000 1.1225
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0767]
_cell_length_b [5... |
agm002098912 | IMgSe | data_[Mg4Se4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2467]
_cell_length_b [12.8037]
_cell_length_c [4.2033]
_cell_... |
agm001496763 | CrFIn2Mo | data_[Cr1In2Mo1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2275]
_cell_length_b [5.2... |
agm001850712 | Er2Li | data_[Li2Er4]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5941]
_cell_length_b [3.5941]
_cell_length_c [12.4748]
_cell_angle_alpha [90.0000]
_cel... |
agm005951754 | Au4Li3Pb | data_[Li9Pb3Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4836]
_cell_length_b [4.4836]
_cell_length_c [24.6169]
_... |
agm003651768 | Ho4NdTm5 | data_[Nd2Ho8Tm10]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [10.1199]
_cell_length_b [10.1199]
_cell_length_c [6.2567]
_c... |
agm2000020687 | In2Te3 | data_[In4Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P222_1]
_cell_length_a [6.5268]
_cell_length_b [20.2486]
_cell_length_c [9.5605]
_cell_angle_alpha [90.0000]
_cel... |
agm003324646 | Au2La7N2 | data_[La14Au4N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8417]
_cell_length_b [7.5041]
_cell_length_c [6.5990]
_ce... |
agm005809473 | Ce2Hg3Pt | data_[Ce2Hg3Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4428]
_cell_length_b [4.9497]
_cell_length_c [8.5268]
_ce... |
agm001264047 | SbSnTl | data_[Tl1Sn1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.5079]
_cell_length_b [5.5079]
_cell_length_c [3.3408]
_c... |
oqmd-8506971 | Cu2Rb2S4Sn | data_[Rb4Cu4Sn2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4_2/mcm]
_cell_length_a [5.7689]
_cell_length_b [5... |
agm001597466 | B2LiPtZn | data_[Li1Zn1B2Pt1]
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
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1012]
_cell_length_b [4.1... |
agm002874310 | BrCdP2 | data_[Cd4P8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.4819]
_cell_length_b [5.4819]
_cell_length_c [14.2674]
_ce... |
agm003425668 | Au2Sn3Sr | data_[Sr4Sn12Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4173]
_cell_length_b [4.5117]
_cell_length_c [8.6782]
_... |
agm002809816 | CCl2O | data_[C4Cl8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
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 [5.8322]
_cell_length_b [5.8322]
_cell_length_c [6.6260]
_cell_... |
agm003486448 | CSb2Sc6 | data_[Sc12Sb4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.0645]
_cell_length_b [6.0645]
_cell_length_c [12.3683]... |
agm002735650 | MoSe2Tc | data_[Tc4Mo4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2671]
_cell_length_b [6.2671]
_cell_length_c [6.2671]
_c... |
agm005162572 | Er5HoSc2Tb | data_[Tb4Ho4Er20Sc8]
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
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.5415]
_cell_length_b [... |
agm006121976 | Dy4LaRh5 | data_[La1Dy4Rh5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4166]
_cell_length_b [3.4166]
_cell_length_c [17.7109]
... |
agm004056784 | BeOs2Tc | data_[Be2Tc2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.6389]
_cell_length_b [3.6389]
_cell_length_c [8.0631]
_c... |
oqmd-9765378 | ErFe2HoSi4 | data_[Ho2Er2Fe4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9248]
_cell_length_b [4.0... |
agm006060133 | Br5La5Zn | data_[La10Zn2Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3396]
_cell_length_b [6.0675]
_cell_length_c [8.8785]
... |
agm002221245 | MgSiYb2 | data_[Yb8Mg4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3615]
_cell_length_b [7.3615]
_cell_length_c [7.3615]
_c... |
agm003599883 | MgTmZn | data_[Tm2Mg2Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9841]
_cell_length_b [4.9841]
_cell_length_c [6.0518]... |
agm003010304 | Cd2Rh2Sb | data_[Cd4Sb2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7410]
_cell_length_b [6.7410]
_cell_length_c [4.2321]
_... |
agm002742530 | AuSrTe2 | data_[Sr4Te8Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7279]
_cell_length_b [7.7279]
_cell_length_c [7.7279]
_c... |
agm001349856 | AgAuBiTb | data_[Tb4Ag4Bi4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2360]
_cell_length_b [7.... |
oqmd-2078590 | Al2Cu4LiZn | data_[Li4Al8Zn4Cu16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.8331]
_cell_length_b... |
oqmd-4240856 | CeGaRe | data_[Ce4Ga4Re4]
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
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5365]
_cell_length_b [6.5365]
_cell_length_c [6.5365]
_c... |
agm2000043523 | FeI2 | data_[Fe2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.4933]
_cell_length_b [7.4933]
_cell_length_c [18.0337]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001441531 | H2KLiTa | data_[K1Li1Ta1H2]
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
Ta 1.5000 1.4500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5519]
_cell_length_b [4.551... |
agm003421127 | AlSm3Zn2 | data_[Sm3Al1Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6153]
_cell_length_b [3.6153]
_cell_length_c [11.2155]
... |
agm005034279 | BaPbSe3Tl | data_[Ba2Tl2Pb2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1293]
_cell_length_b [4... |
agm004624561 | Cs3O6Rb2W | data_[Cs6Rb4W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8847]
_cell_length_b [11.941... |
agm005712714 | Er5Sm4Y4 | data_[Sm8Y8Er10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.8598]
_cell_length_b [12.8598]
_cell_length_c [5.0322]
_c... |
agm005931281 | ErHg12Nd3 | data_[Nd3Er1Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6569]
_cell_length_b [4.6569]
_cell_length_c [18.8862]... |
agm002630296 | I3InZr | data_[Zr1In1I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.9667]
_cell_length_b [5.9667]
_cell_length_c [5.9667]
_cel... |
agm004569523 | La4MgNd2Sm2 | data_[La4Nd2Sm2Mg1]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3015]
_cell_length_b [6.33... |
agm004964345 | Na2O6PZr | data_[Na2Zr1P1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8478]
_cell_length_b [5.8478... |
agm004293031 | Br2RuSi | data_[Si2Ru2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7306]
_cell_length_b [3.1506]
_cell_length_c [3.9009]
_c... |
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