Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003769019 | CaCl6P | data_[Ca3P3Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.3726]
_cell_length_b [6.3726]
_cell_length_c [17.3322]
_cel... |
agm002008419 | AlBeSm2 | data_[Sm6Be3Al3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3975]
_cell_length_b [3.3975]
_cell_length_c [32.0962]
_c... |
agm003417167 | Bi2Ce3O | data_[Ce24Bi16O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.3832]
_cell_length_b [9.9088]
_cell_length_c [16.1972]
_c... |
agm004813882 | AsBr2Ce4Ir | data_[Ce4As1Ir1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
Ir 2.2000 1.3500 0.7650
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4731]
_cell_length_b [4.1... |
oqmd-7730522 | HOTl | data_[Tl4H4O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8791]
_cell_length_b [3.9554]
_cell_length_c [8.0903]
_cell... |
agm002740158 | BaSiTa2 | data_[Ba4Ta8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ta 1.5000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8100]
_cell_length_b [6.8100]
_cell_length_c [6.8100]
_c... |
agm005770440 | AcErTl6 | data_[Ac1Er1Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8976]
_cell_length_b [4.8976]
_cell_length_c [9.7231]
_... |
agm005856432 | AcNd7Sm2 | data_[Ac2Nd14Sm4]
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
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [12.1540]
_cell_length_b [17.3892]
_cell_length_c [3.5972]
... |
agm2000061463 | AgAsPb | data_[Ag4As4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Aem2]
_cell_length_a [22.0028]
_cell_length_b [4.6262]
_cell_length_c [7.2754]
_c... |
agm002650034 | BrRu2Y | data_[Y4Ru8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6183]
_cell_length_b [6.6183]
_cell_length_c [6.6183]
_cel... |
agm001810240 | SiSnTc2 | data_[Si1Tc2Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0776]
_cell_length_b [3.0776]
_cell_length_c [6.4820]
_... |
agm002525837 | CoMn3Pd | data_[Mn3Co1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1359]
_cell_length_b [4.1359]
_cell_length_c [4.1359]
_c... |
agm004103845 | Os2TaTe | data_[Ta4Te4Os8]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4841]
_cell_length_b [6.4841]
_cell_length_c [6.4841]
_c... |
agm005476601 | CdPtRu4 | data_[Cd4Ru16Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2665]
_cell_length_b [7.2665]
_cell_length_c [7.2665]
_... |
agm001464655 | NbTe2TlY | data_[Y1Nb1Tl1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4002]
_cell_length_b [5.4... |
agm004304897 | Fe2IrK | data_[K1Fe2Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.9215]
_cell_length_b [2.9215]
_cell_length_c [8.4430]
_cell... |
agm003364863 | Hg4Rb2Tl5 | data_[Rb4Tl10Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.6893]
_cell_length_b [9.9740]
_cell_length_c [11.1389]
_... |
agm002020640 | CaCsSeSiTl | data_[Cs3Ca3Tl3Si3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length... |
agm006049629 | C3Tb6Zn | data_[Tb12Zn2C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.8175]
_cell_length_b [3.6298]
_cell_length_c [11.2900]
... |
agm001099998 | Pt2ThTm | data_[Tm4Th4Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1128]
_cell_length_b [7.1128]
_cell_length_c [7.1128]
_c... |
agm001461459 | AuCuNb2S | data_[Nb2Cu1Au1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0571]
_cell_length_b [5.0... |
agm005827391 | Ce3CuGa | data_[Ce12Ga4Cu4]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4923]
_cell_length_b [4.3392]
_cell_length_c [5.2285]
_... |
agm001978973 | OPa2Rh | data_[Pa6Rh3O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5300]
_cell_length_b [3.5300]
_cell_length_c [20.5084]
_cel... |
mp-1017360 | Mg6NaSr | data_[Na2Sr2Mg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4069]
_cell_length_b [6.8484]
_cell_length_c [11.9679]
_... |
agm005048937 | CsO4PmTi | data_[Cs2Pm2Ti2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pm 1.1300 1.8500 1.1100
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0907]
_cell_length_b [6.1... |
agm002276840 | GaOs2Th2 | data_[Th4Ga2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ga 1.8100 1.3000 0.7600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4465]
_cell_length_b [7.4465]
_cell_length_c [4.0090]
_... |
agm005958340 | Ho5Pm3Y | data_[Pm12Y4Ho20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.1883]
_cell_length_b [6.3464]
_cell_length_c [11.5199]
_... |
agm004179952 | Cu2MnRh | data_[Mn2Cu4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.2295]
_cell_length_b [7.1502]
_cell_length_c [2.8310]
_ce... |
agm002671424 | Cd2FI | data_[Cd8I4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2807]
_cell_length_b [7.2807]
_cell_length_c [7.2807]
_cell_... |
agm001828012 | CdHo3 | data_[Ho3Cd1]
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 [Pmm2]
_cell_length_a [3.4274]
_cell_length_b [3.4290]
_cell_length_c [10.2792]
_cell_angle_alpha [90.0000]
_cell_... |
agm001139508 | Hf2LuZn | data_[Lu1Hf2Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2203]
_cell_length_b [3.2203]
_cell_length_c [8.3496]
_... |
agm001367321 | InLiThZn | data_[Li4Th4Zn4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Th 1.3000 1.8000 1.0800
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2338]
_cell_length_b [7.... |
agm001149790 | MnNbRh2 | data_[Mn1Nb1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Nb 1.6000 1.4500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2404]
_cell_length_b [3.2404]
_cell_length_c [5.8438]
_... |
agm004611547 | DyNd2S6Tb3 | data_[Tb6Nd4Dy2S12]
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
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3020]
_cell_length_b [3.9... |
agm003326496 | Dy2Nd2Sc7 | data_[Nd4Dy4Sc14]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4716]
_cell_length_b [10.3566]
_cell_length_c [9.1220]
_... |
agm001033565 | MnOsS | data_[Mn2Os2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Os 2.2000 1.3000 0.6730
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.7744]
_cell_length_b [2.7744]
_cell_length_c [11.5939]
_ce... |
agm003070151 | BaHTa | data_[Ba4Ta4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ta 1.5000 1.4500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.0615]
_cell_length_b [4.7236]
_cell_length_c [9.6852]
_cell_a... |
agm005573102 | Ac3Nd3Pm2 | data_[Ac3Pm2Nd3]
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
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [6.2678]
_cell_length_b [6.2682]
_cell_length_c [7.7867]
_ce... |
agm001342126 | CuPmSmZn | data_[Pm4Sm4Zn4Cu4]
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
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2155]
_cell_length_b [7.... |
agm003601676 | PbPdSr | data_[Sr2Pd2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.8537]
_cell_length_b [4.8537]
_cell_length_c [7.3005]
_... |
agm003351387 | Er2Hg7Sm3 | data_[Sm6Er4Hg14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1743]
_cell_length_b [22.9453]
_cell_length_c [5.5319]
_... |
agm002958077 | AsMo2Ta2 | data_[Ta4Mo4As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4646]
_cell_length_b [7.4646]
_cell_length_c [3.2829]
_... |
agm005071871 | DyF6HgRb | data_[Rb2Dy2Hg2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Dy 1.2200 1.7500 1.1310
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.2188]
_cell_length_b [6.2... |
agm004860272 | LiNpPb2S4 | data_[Li1Np1Pb2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Np 1.3600 1.7500 1.0000
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9153]
_cell_length_b [4.086... |
agm002572340 | PSSc3 | data_[Sc3P1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7279]
_cell_length_b [4.7279]
_cell_length_c [4.7279]
_cell_... |
agm006118385 | Ac5Hg6Tb | data_[Ac10Tb2Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tb 1.1000 1.7500 0.9815
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6393]
_cell_length_b [7.9910]
_cell_length_c [16.9716]
... |
oqmd-9028356 | CrHoLiSe3 | data_[Li4Ho4Cr4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ho 1.2300 1.7500 1.0410
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9679]
_cell_length_b [13... |
agm003652684 | Pm4PuSe5 | data_[Pm12Pu3Se15]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1954]
_cell_length_b [4.1954]
_cell_length_c [50.9987]
... |
agm003701635 | Ge7OsPm12 | data_[Pm36Ge21Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.8504]
_cell_length_b [14.8504]
_cell_length_c [9.0417]
... |
agm002304177 | EuO7Si2Sm | data_[Sm2Eu2Si4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.0910]
_cell_length_b [9.3150... |
agm001598002 | BC2NbTa | data_[Ta1Nb1B1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7658]
_cell_length_b [3.765... |
agm005445469 | Cr2Sb | data_[Cr4Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.9512]
_cell_length_b [3.9512]
_cell_length_c [6.9433]
_cell_angle_alpha [90.0000]
_ce... |
agm002729221 | RuS2Te | data_[Te4Ru4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4698]
_cell_length_b [6.4698]
_cell_length_c [6.4698]
_cel... |
agm003934787 | OsSrZn | data_[Sr2Zn2Os2]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4691]
_cell_length_b [3.4691]
_cell_length_c [10.6543]
_c... |
agm005903562 | CoHZr4 | data_[Zr16Co4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.0327]
_cell_length_b [8.0327]
_cell_length_c [7.0489]
... |
agm005111385 | Er2SeTl | data_[Er6Tl3Se3]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8480]
_cell_length_b [3.8480]
_cell_length_c [24.6157]
_ce... |
agm001971782 | CoErGd2 | data_[Gd6Er3Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6942]
_cell_length_b [3.6942]
_cell_length_c [27.8264]
_c... |
agm003333890 | Ba2Ga3Ge4 | data_[Ba8Ga12Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.2674]
_cell_length_b [16.2715]
_cell_length_c [8.3987]
... |
agm001196925 | AlEr2Pa | data_[Er2Pa1Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pa 1.5000 1.8000 1.0400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7067]
_cell_length_b [4.7067]
_cell_length_c [4.5168]
_... |
agm003974408 | AsFeSc2 | data_[Sc8Fe4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3371]
_cell_length_b [6.3371]
_cell_length_c [6.3371]
_c... |
agm002407266 | AuBC3 | data_[B1Au1C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Au 2.5400 1.3500 1.0700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1138]
_cell_length_b [4.1138]
_cell_length_c [4.1138]
_cell_... |
agm001142970 | BiIrSc2 | data_[Sc2Bi1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2949]
_cell_length_b [3.2949]
_cell_length_c [8.0393]
_... |
agm001333989 | GaMgNaSn | data_[Na4Mg4Ga4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1756]
_cell_length_b [7.... |
agm001753275 | FeO2PRb | data_[Rb1Fe1P1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1856]
_cell_length_b [4.185... |
agm001091345 | AcCe2Ge | data_[Ac4Ce8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6768]
_cell_length_b [7.6768]
_cell_length_c [7.6768]
_c... |
agm004450935 | RuZr | data_[Zr6Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [7.2245]
_cell_length_b [7.2245]
_cell_length_c [7.2245]
_cell_angle_alpha [90.0000]
_cell_... |
agm004580053 | GeK2O6Pm2 | data_[K4Pm4Ge2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pm 1.1300 1.8500 1.1100
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9257]
_cell_length_b [10.127... |
agm004747862 | CeGa2NiPt2 | data_[Ce1Ga2Ni1Pt2]
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
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5221]
_cell_length_b [4... |
agm004519367 | Al4La2Pt3Sc | data_[La2Sc1Al4Pt3]
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
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2824]
_cell_length_b [4.... |
agm002294203 | NaRuSi4 | data_[Na4Si16Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.9728]
_cell_length_b [5.9728]
_cell_length_c [12.5207]... |
agm002518034 | BiMgS3 | data_[Mg1Bi1S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1676]
_cell_length_b [5.1676]
_cell_length_c [5.1676]
_cel... |
agm001313365 | BeMnMoRu | data_[Mn4Be4Mo4Ru4]
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
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8632]
_cell_length_b [5.... |
agm004320928 | CoReY2 | data_[Y4Co2Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0267]
_cell_length_b [4.3686]
_cell_length_c [10.1183]
_cel... |
agm001280696 | AgNd3 | data_[Nd6Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7887]
_cell_length_b [4.7887]
_cell_length_c [10.3964]
_cell_angle_alpha [90.0000]
_cel... |
agm005945721 | H8Ho2Mg | data_[Ho4Mg2H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6737]
_cell_length_b [4.7403]
_cell_length_c [10.8354]
_ce... |
agm005964896 | La2PrTh4 | data_[La4Pr2Th8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.6010]
_cell_length_b [37.1167]
_cell_length_c [3.5998]
_c... |
agm002353772 | PtS3ThTl | data_[Th4Tl4Pt4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Tl 1.6200 1.9000 1.3325
Pt 2.2800 1.3500 0.8050
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1327]
_cell_length_b [13.2... |
agm001627148 | Ca2CoHPd | data_[Ca2Co1H1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9524]
_cell_length_b [4.9... |
agm004446915 | CoMo | data_[Co6Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.6290]
_cell_length_b [13.2746]
_cell_length_c [4.5298]
_cell_angle_alpha [90.0000]
_cell_... |
agm002676151 | FeIr2Tc | data_[Fe4Tc4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Tc 1.9000 1.3500 0.7417
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0690]
_cell_length_b [6.0690]
_cell_length_c [6.0690]
_c... |
oqmd-2631438 | CuPbReZr | data_[Zr4Cu4Re4Pb4]
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
Re 1.9000 1.3500 0.7125
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6665]
_cell_length_b [6.... |
agm005154213 | AcDy5PmY2 | data_[Ac4Pm4Dy20Y8]
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
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.5593]
_cell_length_b [23... |
agm001155852 | ErTc2V | data_[Er1V1Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
V 1.6300 1.3500 0.7775
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1474]
_cell_length_b [3.1474]
_cell_length_c [6.7679]
_ce... |
agm003727191 | KMnTe3 | data_[K4Mn4Te12]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7370]
_cell_length_b [7.9751]
_cell_length_c [8.6841]
_cell... |
agm001383905 | FeIrScZr | data_[Zr4Sc4Fe4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4339]
_cell_length_b [6.... |
agm002691179 | Li2NbPd | data_[Li8Nb4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1017]
_cell_length_b [6.1017]
_cell_length_c [6.1017]
_c... |
agm005433786 | AsMg4Tl | data_[Mg16Tl4As4]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.2307]
_cell_length_b [8.2307]
_cell_length_c [8.2307]
_... |
agm001589142 | CrCs2KMn | data_[Cs2K1Mn1Cr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.6483
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.2250]
_cell_length_b [7.2... |
agm004679401 | Ac3BiLi2Pd9 | data_[Li2Ac3Bi1Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.2192]
_cell_length_b [6.... |
agm002207705 | Cu2In7Sm3 | data_[Sm9In21Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0286]
_cell_length_b [6.0286]
_cell_length_c [27.1507]
_... |
agm002395009 | AlGe3Nb | data_[Nb1Al1Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7505]
_cell_length_b [4.7505]
_cell_length_c [4.7505]
_c... |
agm001446592 | NScTaTl2 | data_[Sc1Ta1Tl2N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6967]
_cell_length_b [5.6... |
agm005038151 | CeLiO3Ti | data_[Li2Ce2Ti2O6]
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
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7448]
_cell_length_b [3.2... |
agm003598952 | AuSiSm | data_[Sm2Si2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3582]
_cell_length_b [4.1843]
_cell_length_c [7.3342]
_... |
agm001733421 | CdClN2Se | data_[Cd1Se1N2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2810]
_cell_length_b [4.2... |
agm003010795 | Pt2RhTl2 | data_[Tl4Pt4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.0055]
_cell_length_b [7.0055]
_cell_length_c [4.0136]
_... |
agm004491762 | Ce2F3K3O4 | data_[K6Ce4O8F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3387]
_cell_length_b [4.6727]
_... |
agm005422385 | CuZn2 | data_[Zn4Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.6642]
_cell_length_b [2.6642]
_cell_length_c [14.0258]
_cell_angle_alpha [90.0000]
_c... |
agm002975410 | Al2FV2 | data_[Al4V4F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.7021]
_cell_length_b [7.7021]
_cell_length_c [3.0456]
_cell... |
agm004113413 | AlSr2Y | data_[Sr4Y2Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2111]
_cell_length_b [10.1620]
_cell_length_c [3.8574]
_cel... |
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