Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
oqmd-8913786 | C2CdCuW4 | data_[Cd1Cu1W4C2]
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
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.0676]
_cell_length_b [3.0676... |
agm004556615 | Br2GeO2Sn2 | data_[Sn4Ge2Br4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7336]
_cell_length_b [3.80... |
agm004763289 | AgBa2O4Pt | data_[Ba16Ag8Pt8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.2028]
_cell_length_b [13.... |
agm003935747 | NiSrTc2 | data_[Sr2Tc4Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7751]
_cell_length_b [3.7751]
_cell_length_c [10.0701]
... |
agm005126862 | ClNPr2 | data_[Pr6N3Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7174]
_cell_length_b [3.7174]
_cell_length_c [21.5590]
_cell... |
agm002475348 | Fe3IrOs | data_[Fe3Ir1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4031]
_cell_length_b [4.4031]
_cell_length_c [4.4031]
_c... |
agm004678073 | B2InPu3Rh9 | data_[Pu3In1B2Rh9]
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
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7916]
_cell_length_b [5.79... |
agm003751442 | Ag4ScTm | data_[Tm2Sc2Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7769]
_cell_length_b [3.6303]
_cell_length_c [7.2796]
_ce... |
agm001691233 | CaCl2HgS | data_[Ca1Hg1S1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2804]
_cell_length_b [5.2... |
agm004827499 | AsCeLi2S4 | data_[Li8Ce4As4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.6029]
_cell_length_b [7.91... |
agm002558755 | OScY3 | data_[Y3Sc1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.4266]
_cell_length_b [5.4266]
_cell_length_c [5.4266]
_cell_... |
agm003460746 | AgK4Se2 | data_[K12Ag3Se6]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6269]
_cell_length_b [5.6269]
_cell_length_c [28.9029]
_ce... |
agm1000013643 | BrNa | data_[Na1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [15.0000]
_cell_length_b [15.0000]
_cell_length_c [5.3295]
_cell_angle_alpha [90.0000]
_ce... |
agm003754649 | OsPdTh4 | data_[Th16Os4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Os 2.2000 1.3000 0.6730
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [9.5238]
_cell_length_b [9.5238]
_cell_length_c [8.6124]
... |
oqmd-6019272 | BiN2OSm | data_[Sm4Bi4N8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [8.7325]
_cell_length_b [5.8138]... |
agm005688858 | La3Nd4Tm3 | data_[La6Nd8Tm6]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8320]
_cell_length_b [13.5458]
_cell_length_c [13.4695]
_... |
agm005549863 | Ac2Ba2Sr15 | data_[Ba6Sr45Ac6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Ac 1.1000 1.9500 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.7025]
_cell_length_b [13.7025]
_cell_length_c [20.4324]... |
agm003927742 | AgP2Y | data_[Y1Ag1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7451]
_cell_length_b [3.7451]
_cell_length_c [6.0784]
_cell... |
agm001350574 | AgIrPaSc | data_[Sc4Pa4Ag4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pa 1.5000 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9034]
_cell_length_b [6.... |
agm005618259 | AgPrSm | data_[Pr4Sm4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4108]
_cell_length_b [3.7128]
_cell_length_c [12.8904]
_c... |
agm003426258 | Ga2PrZn3 | data_[Pr4Zn12Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6154]
_cell_length_b [4.2335]
_cell_length_c [7.6377]
_... |
agm005788890 | Br6SmTm | data_[Sm2Tm2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9886]
_cell_length_b [13.4660]
_cell_length_c [6.9867]
_... |
agm001656545 | IrKMg2Sb | data_[K1Mg2Sb1Ir1]
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
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1626]
_cell_length_b [5.1... |
agm002634388 | AlIRh2 | data_[Al4Rh8I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4569]
_cell_length_b [6.4569]
_cell_length_c [6.4569]
_cel... |
agm004067141 | AsCdZr2 | data_[Zr4Cd2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0467]
_cell_length_b [3.8013]
_cell_length_c [10.8138]
_c... |
oqmd-7438550 | AgRbS2SeW | data_[Rb4Ag4W4Se4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a ... |
oqmd-6741067 | AsCd2P3Sn2 | data_[Cd4Sn4As2P6]
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
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.2091]
_cell_length_b [6.0137... |
agm003331206 | Ga3Ir2Pm3 | data_[Pm12Ga12Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2771]
_cell_length_b [10.6903]
_cell_length_c [15.3270]... |
agm002321710 | Cs2LaTe3 | data_[Cs8La4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
La 1.1000 1.9500 1.1720
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [15.3407]
_cell_length_b [11.5250]
_cell_length_c [6.9234]
... |
agm001509073 | InPRu2Sn | data_[In1Sn1P1Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9629]
_cell_length_b [4.9... |
oqmd-9671080 | AuLu2 | data_[Lu8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9427]
_cell_length_b [4.8256]
_cell_length_c [8.7086]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005515054 | AsCd2 | data_[Cd8As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1288]
_cell_length_b [4.3398]
_cell_length_c [7.3254]
_cell_angle_alpha [90.0000]
_cell_a... |
oqmd-8130302 | AuNi4P2 | data_[Ni8P4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.1448]
_cell_length_b [7.1448]
_cell_length_c [3.4621]
_... |
agm003104951 | N3SrW | data_[Sr16W16N48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.6074]
_cell_length_b [10.6074]
_cell_length_c [10.6074]
... |
oqmd-8995270 | GdKS3Ti | data_[K4Gd4Ti4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Gd 1.2000 1.8000 1.0750
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0743]
_cell_length_b [14.351... |
agm2000044304 | CeI4 | data_[Ce2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [12.1676]
_cell_length_b [12.1676]
_cell_length_c [18.9094]
_cell_angle_alpha [90.0000]
_cell_... |
agm003099914 | MgMnRh | data_[Mg2Mn2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.6483
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5830]
_cell_length_b [4.5830]
_cell_length_c [9.0463]... |
agm004645055 | ErNa3Sc2Te6 | data_[Na6Er2Sc4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4360]
_cell_length_b [12... |
agm2000089820 | Mg2PbTe3 | data_[Mg4Te6Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1661]
_cell_length_b [13.1234]
_cell_length_c [17.3118]
_ce... |
agm004570970 | Ac2H2O6Pd | data_[Ac6H6Pd3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3126]
_cell_length_b [5.3126... |
agm001414368 | AuUZn | data_[U1Zn1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.7766]
_cell_length_b [4.7766]
_cell_length_c [2.9854]
_cel... |
agm001908430 | IrLiPbTi | data_[Li4Ti4Ir4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4170]
_cell_length_b [6.... |
agm003723141 | CaLiPd3 | data_[Li4Ca4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2932]
_cell_length_b [9.7379]
_cell_length_c [5.9066]
_c... |
agm001829373 | Dy3N | data_[Dy3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1887]
_cell_length_b [3.3219]
_cell_length_c [8.9836]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm004210250 | AgFe3 | data_[Fe3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8750]
_cell_length_b [2.8750]
_cell_length_c [6.5258]
_cell_angle_alpha [90.0000]
_cell... |
agm003846280 | Al2PtSb | data_[Al8Sb4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6909]
_cell_length_b [6.6909]
_cell_length_c [6.6909]
_c... |
agm004023282 | PbRe2Ta | data_[Ta1Re2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0655]
_cell_length_b [4.0800]
_cell_length_c [6.0478]
_ce... |
agm003817577 | LiMnTa2 | data_[Li2Ta4Mn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1524]
_cell_length_b [4.5878]
_cell_length_c [9.0981]
_ce... |
agm003454045 | PmPu2S4 | data_[Pm4Pu8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pu 1.2800 1.7500 0.9675
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9104]
_cell_length_b [13.0948]
_cell_length_c [13.1777]
_c... |
agm001930668 | Ga2PtSn | data_[Ga6Sn3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2817]
_cell_length_b [3.2817]
_cell_length_c [26.9019]
_c... |
agm005769382 | ErPd6Tl | data_[Er1Tl1Pd6]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7757]
_cell_length_b [5.7757]
_cell_length_c [4.1213]
_... |
agm001942845 | Er2NiSe | data_[Er6Ni3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8641]
_cell_length_b [3.8641]
_cell_length_c [20.9114]
_c... |
oqmd-7857608 | Ce2Yb | data_[Yb4Ce8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ce 1.1200 1.8500 1.0800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9867]
_cell_length_b [7.9867]
_cell_length_c [7.9867]
_cell_angle_alpha [90.0000]
_cell_... |
agm001505850 | CsHfIn2Zn | data_[Cs1Hf1Zn1In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6583]
_cell_length_b [5... |
agm002412698 | BGaTl3 | data_[Tl3Ga1B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.4547]
_cell_length_b [5.4547]
_cell_length_c [5.4547]
_cel... |
agm001275670 | BiPmSm | data_[Pm1Sm1Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.3336]
_cell_length_b [5.3336]
_cell_length_c [4.0086]
_ce... |
agm006071611 | CsHg7Tl5 | data_[Cs2Tl10Hg14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.5680]
_cell_length_b [11.1312]
_cell_length_c [11.4858]... |
agm002658091 | CaTcV2 | data_[Ca4V8Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4786]
_cell_length_b [6.4786]
_cell_length_c [6.4786]
_cel... |
agm006078442 | Br7GaTl4 | data_[Tl8Ga2Br14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7337]
_cell_length_b [5.3028]
_cell_length_c [12.6610]
... |
agm004486057 | F6ORb2Se | data_[Rb4Se2O2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2758]
_cell_length_b [6.27... |
agm001675797 | As2BGaSe | data_[Ga1B1As2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4278]
_cell_length_b [4.4... |
agm2000015120 | SZn | data_[Zn4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.1695]
_cell_length_b [4.8466]
_cell_length_c [17.7347]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002864997 | Na2PbSc | data_[Na8Sc4Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.9076]
_cell_length_b [8.9076]
_cell_length_c [5.9956]
_c... |
agm005866342 | Ac2Nd5Y | data_[Ac4Nd10Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3228]
_cell_length_b [5.3228]
_cell_length_c [21.0042]
_... |
agm003387768 | Er2Sb2Y | data_[Y4Er8Sb8]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9359]
_cell_length_b [7.5154]
_cell_length_c [8.0947]
_ce... |
agm001924466 | GeMo2Sn | data_[Sn3Ge3Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0874]
_cell_length_b [3.0874]
_cell_length_c [25.2439]
_c... |
agm004451652 | BrZn | data_[Zn8Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.4324]
_cell_length_b [10.4324]
_cell_length_c [5.1468]
_cell_angle_alpha [90.0000]
_cell... |
agm004851807 | Dy2Pr4SmTm | data_[Pr4Sm1Dy2Tm1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1695]
_cell_length_b [5... |
agm003373568 | Li5Pd5Y2 | data_[Li10Y4Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2008]
_cell_length_b [4.2677]
_cell_length_c [9.3055]
_c... |
agm001045213 | LiUZn | data_[Li4U4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
U 1.3800 1.7500 0.9913
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7360]
_cell_length_b [2.7255]
_cell_length_c [5.4270]
_cel... |
agm005645740 | Au2Cd3Rb8 | data_[Rb16Cd6Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.6203]
_cell_length_b [18.5649]
_cell_length_c [6.5760]
... |
agm004214437 | InRuTl2 | data_[Tl4In2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.2165]
_cell_length_b [4.3633]
_cell_length_c [14.4897]
_c... |
agm005016221 | CuGe2IrTm | data_[Tm2Cu2Ge4Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1139]
_cell_length_b [4.... |
agm004732205 | Na4PbTe8Tm3 | data_[Na12Tm9Te24Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.8396]
_cell_length_b [8... |
agm004379277 | BeIrMg2 | data_[Mg4Be2Ir2]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1282]
_cell_length_b [4.6238]
_cell_length_c [8.5531]
_ce... |
oqmd-9643551 | Nb2Se4Ti | data_[Ti2Nb4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9357]
_cell_length_b [3.4851]
_cell_length_c [6.3772]
_c... |
agm001014196 | PaRuSe | data_[Pa2Ru2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8916]
_cell_length_b [5.5704]
_cell_length_c [6.1588]
_... |
agm005042541 | CoGe3MnPr | data_[Pr4Mn4Co4Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0794]
_cell_length_b [11... |
agm004132032 | IrMg2Tl | data_[Mg8Tl4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6553]
_cell_length_b [6.6553]
_cell_length_c [6.6553]
_c... |
agm002961023 | Be2Mn2Tc | data_[Mn4Be4Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.1244]
_cell_length_b [6.1244]
_cell_length_c [2.8011]
_... |
agm003101467 | MgPtSe | data_[Mg4Pt4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8152]
_cell_length_b [7.7855]
_cell_length_c [8.2428]
_ce... |
oqmd-7761476 | CClY2 | data_[Y6C3Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6676]
_cell_length_b [3.6676]
_cell_length_c [20.2769]
_cell_... |
agm004445461 | CuSr | data_[Sr8Cu8]
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
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.0428]
_cell_length_b [7.7743]
_cell_length_c [10.4096]
_cell_angle_alpha [90.0000]
_cell_... |
agm002866993 | ILa2Nb | data_[La8Nb4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nb 1.6000 1.4500 0.8200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.7121]
_cell_length_b [7.7121]
_cell_length_c [9.3289]
_cel... |
agm005498320 | InPt3 | data_[In2Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [5.1791]
_cell_length_b [5.1791]
_cell_length_c [5.1791]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-3744838 | BiNORh | data_[Bi4Rh4N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [5.5543]
_cell_length_b [8.360... |
agm002876792 | BaHg2P | data_[Ba4Hg8P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.6310]
_cell_length_b [8.6310]
_cell_length_c [6.4348]
_cel... |
agm003828967 | AgK2Mn | data_[K4Mn2Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.6483
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9219]
_cell_length_b [5.9617]
_cell_length_c [12.2084]
_cel... |
oqmd-3702569 | CsMgSr | data_[Cs4Sr4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.0638]
_cell_length_b [9.0638]
_cell_length_c [9.0638]
_c... |
agm005865186 | GeSi3V12 | data_[V12Si3Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.7184]
_cell_length_b [4.7233]
_cell_length_c [9.4036]
_cel... |
agm003065998 | GaRbSn | data_[Rb4Ga4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2664]
_cell_length_b [4.4821]
_cell_length_c [6.7320]
_c... |
agm003887907 | AuNiY2 | data_[Y2Ni1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0218]
_cell_length_b [4.0218]
_cell_length_c [5.9292]
_cell... |
agm003780693 | Ba2InW | data_[Ba6In3W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4730]
_cell_length_b [3.4730]
_cell_length_c [35.0677]
_cel... |
oqmd-5508779 | AsBIrO | data_[B2As2Ir2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
As 2.1800 1.1500 0.6600
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [2.9003]
_cell_length_b [8.278... |
agm005923458 | Ho3PuRu4 | data_[Ho6Pu2Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pu 1.2800 1.7500 0.9675
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7742]
_cell_length_b [4.7742]
_cell_length_c [13.5609]
... |
agm002740120 | Si2SrTc | data_[Sr4Si8Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5854]
_cell_length_b [6.5854]
_cell_length_c [6.5854]
_c... |
agm002241760 | Fe2SiYb | data_[Yb2Fe4Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0445]
_cell_length_b [4.0445]
_cell_length_c [9.8157]... |
agm003380123 | Pm3Sm4Tm4 | data_[Pm6Sm8Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.6658]
_cell_length_b [5.7028]
_cell_length_c [12.0329]
_... |
agm001619167 | La2LiOSn | data_[Li1La2Sn1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0428]
_cell_length_b [5.0... |
agm005745297 | In11Pm9Sm4 | data_[Pm18Sm8In22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [18.0940]
_cell_length_b [21.4352]
_cell_length_c [3.5603]... |
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