c-bone/CrystaLLM-pi_base
Text Generation • 25.9M • Updated • 5.02k • 1
Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001641112 | HScSr2Tl | data_[Sr2Sc1Tl1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1628]
_cell_length_b [5.1... |
agm005606460 | Cd6Ho2Pu | data_[Ho2Pu1Cd6]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.7472]
_cell_length_b [8.7472]
_cell_length_c [3.2930]
_... |
agm004176878 | PRe | data_[Re3P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9208]
_cell_length_b [2.9208]
_cell_length_c [11.1091]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005082324 | AlBaIO6 | data_[Ba1Al1I1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.1295]
_cell_length_b [5.1295]... |
oqmd-6806888 | CaNaPd2Sn4 | data_[Na2Ca2Sn8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.5727]
_cell_length_b [4.4... |
agm004601304 | NdSm2Te6Y3 | data_[Nd2Sm4Y6Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2765]
_cell_length_b [4.3... |
agm001413643 | HMnSn | data_[Mn1Sn1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2612]
_cell_length_b [3.2612]
_cell_length_c [4.0113]
_cel... |
agm004554833 | Br2H2Li2O | data_[Li4H4Br4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
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 [10.7857]
_cell_length_b [4.2985... |
agm004346954 | Ba2IrOs | data_[Ba4Ir2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6336]
_cell_length_b [5.6598]
_cell_length_c [9.4227]
_ce... |
agm001296358 | NdPtTlY | data_[Nd4Y4Tl4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4126]
_cell_length_b [7.41... |
agm002298130 | MnNp3O4 | data_[Np6Mn2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.9504]
_cell_length_b [9.6153]
_cell_length_c [3.3390]
_cell... |
agm003435188 | As2GePu3 | data_[Pu12Ge4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1961]
_cell_length_b [12.4367]
_cell_length_c [7.1714]
_... |
agm001170743 | AlSnZn4 | data_[Al4Zn16Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5432]
_cell_length_b [7.5432]
_cell_length_c [7.5432]
_... |
agm003815457 | Br2IrRe | data_[Re2Ir2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ir 2.2000 1.3500 0.7650
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.9748]
_cell_length_b [4.7120]
_cell_length_c [11.6781]
_c... |
agm005861011 | HoS3U | data_[Ho4U4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2871]
_cell_length_b [3.8818]
_cell_length_c [14.9496]
_cell... |
agm2000129911 | AlFe6 | data_[Al1Fe6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [6.5364]
_cell_length_b [6.5364]
_cell_length_c [15.0000]
_cell_angle_alpha [90.0000]
_cel... |
agm003135234 | PdRbSr3 | data_[Rb6Sr18Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sr 0.9500 2.0000 1.3200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.6061]
_cell_length_b [7.6061]
_cell_length_c [34.0301]
_c... |
agm003625647 | AuGaHf2 | data_[Hf6Ga3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3357]
_cell_length_b [4.3357]
_cell_length_c [15.5054]
_ce... |
oqmd-6853984 | C4GaGdV2 | data_[Gd1V2Ga1C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3579]
_cell_length_b [3.3579... |
agm003720588 | AcI3Li | data_[Li2Ac2I6]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2668]
_cell_length_b [4.1949]
_cell_length_c [11.1518]
_c... |
agm004730777 | Ho4S8Tb3Th | data_[Tb9Ho12Th3S24]
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
Th 1.3000 1.8000 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8350]
_cell_length_b [7.8... |
agm001633713 | BaCa2CdO | data_[Ba1Ca2Cd1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8943]
_cell_length_b [4.8... |
agm004902401 | IrO8PmPr2 | data_[Pm2Pr4Ir2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
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 [Cmmm]
_cell_length_a [7.3822]
_cell_length_b [7.40... |
agm005805035 | AcLi2Pd3 | data_[Li2Ac1Pd3]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6355]
_cell_length_b [5.6355]
_cell_length_c [3.9575]
_... |
agm004587978 | Ag2Cl6NiRb2 | data_[Rb4Ni2Ag4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ni 1.9100 1.3500 0.7400
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9152]
_cell_length_b [13... |
agm004011179 | BaClLa2 | data_[Ba2La4Cl2]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.4162]
_cell_length_b [6.2965]
_cell_length_c [10.7477]
_c... |
agm003027525 | BaRu2Y2 | data_[Ba2Y4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.3955]
_cell_length_b [8.3955]
_cell_length_c [3.4481]
_ce... |
agm002657915 | CaI2Tc | data_[Ca4Tc4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tc 1.9000 1.3500 0.7417
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4845]
_cell_length_b [7.4845]
_cell_length_c [7.4845]
_cel... |
mp-761165 | F7Li3Mn3O | data_[Li9Mn9O3F21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.3350]
_cell_length_b [6.3350]... |
agm004684889 | Dy8Pt3SeTe3 | data_[Dy24Te9Pt9Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3151]
_cell_length_b [8.... |
mp-1049278 | Ba2Co2F11Y | data_[Ba6Y3Co6F33]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P3_2]
_cell_length_a [7.9227]
_cell_length_b [7.9227... |
oqmd-8702878 | BaDyO6Pb2 | data_[Ba1Dy1Pb2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2628]
_cell_length_b [4.2... |
oqmd-9128958 | BaCoPdSb2 | data_[Ba2Co2Sb4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6484]
_cell_length_b [4... |
agm002810092 | Ca2CdPb | data_[Ca8Cd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.9764]
_cell_length_b [4.9764]
_cell_length_c [21.9396]
_... |
agm002647470 | Al2BeBr | data_[Be4Al8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7382]
_cell_length_b [6.7382]
_cell_length_c [6.7382]
_c... |
agm002832081 | GaPd2Tl | data_[Tl4Ga4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.2110]
_cell_length_b [4.2110]
_cell_length_c [17.9129]
_... |
agm005781426 | CdO3V | data_[V4Cd4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [3.7278]
_cell_length_b [14.2767]
_cell_length_c [5.3354]
_cell... |
agm005025874 | CuHoKTe3 | data_[K4Ho4Cu4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7296]
_cell_length_b [5.2... |
agm2000063036 | ITlV | data_[Tl2V2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0106]
_cell_length_b [3.6857]
_cell_length_c [19.6681]
_cel... |
agm003506518 | Cu6Li2Mg | data_[Li4Mg2Cu12]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6210]
_cell_length_b [5.1341]
_cell_length_c [6.7051]
_c... |
oqmd-6798995 | Au6CdMg | data_[Mg1Cd1Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.9005]
_cell_length_b [5.9005]
_cell_length_c [4.8388]
_c... |
agm001065927 | AlFeNd | data_[Nd2Al2Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.1772]
_cell_length_b [3.1772]
_cell_length_c [11.2222]
_c... |
agm004912007 | Cl8KSn2Y | data_[K1Y1Sn2Cl8]
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
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4756]
_cell_length_b [6.8666]
... |
agm004724637 | LaPm4Se8Sm3 | data_[La3Pm12Sm9Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4098]
_cell_length_b [8... |
agm005593549 | Ho2Nd5Y3 | data_[Nd20Y12Ho8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
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 [10.7679]
_cell_length_b [14.8236]
_cell_length_c [10.1151]
... |
agm002745610 | BiGa2Ti | data_[Ti4Ga8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0109]
_cell_length_b [7.0109]
_cell_length_c [7.0109]
_c... |
agm001700636 | F2HfO2 | data_[Hf1O2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6082]
_cell_length_b [3.6082]
_cell_length_c [4.1790]
_cell... |
agm003489094 | Ag6CuPd2 | data_[Cu2Ag12Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0825]
_cell_length_b [4.0474]
_cell_length_c [8.6703]
_c... |
agm004896038 | LaNiO8S2 | data_[La1Ni1S2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0574]
_cell_length_b [5.0574... |
agm006128164 | AgCu6Y12 | data_[Y24Cu12Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.8469]
_cell_length_b [9.8469]
_cell_length_c [9.8469]
_ce... |
agm003637919 | Ca2LiN | data_[Li4Ca8N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8369]
_cell_length_b [14.9184]
_cell_length_c [4.9883]
_cel... |
agm004574252 | Ac2LaMn2N6 | data_[Ac6La3Mn6N18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.6483
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7635]
_cell_length_b [5.76... |
agm006039674 | BiMn2Th4 | data_[Th16Mn8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Mn 1.5500 1.4000 0.6483
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4963]
_cell_length_b [12.3087]
_cell_length_c [13.3099]
... |
agm005452482 | SbSrW4 | data_[Sr4Sb4W16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8364]
_cell_length_b [7.8364]
_cell_length_c [7.8364]
_ce... |
agm002267798 | CuNdTe2 | data_[Nd4Cu4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5208]
_cell_length_b [7.5208]
_cell_length_c [7.5208]
_c... |
agm004594132 | Br3GeN2Pr6 | data_[Pr12Ge2Br6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9418]
_cell_length_b [3.9... |
agm001721465 | BeBrIN2 | data_[Be1I1Br1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8782]
_cell_length_b [3.878... |
agm002160225 | AsMgRu5 | data_[Mg1As1Ru5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0827]
_cell_length_b [4.0827]
_cell_length_c [6.3666]
_... |
agm003443232 | PmPr4Tm2 | data_[Pm4Pr16Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.9345]
_cell_length_b [11.5635]
_cell_length_c [12.1572]
... |
oqmd-9441010 | KO8Pd4 | data_[K3Pd12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [6.1893]
_cell_length_b [6.1893]
_cell_length_c [18.0331]
_cel... |
agm003676133 | CdEr6Tl5 | data_[Er12Tl10Cd2]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4047]
_cell_length_b [11.1386]
_cell_length_c [9.7919]
... |
agm001090892 | GaGd2Ho | data_[Gd8Ho4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5478]
_cell_length_b [7.5478]
_cell_length_c [7.5478]
_c... |
oqmd-3044218 | AuBeSrY | data_[Sr4Y4Be4Au4]
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
Be 1.5700 1.0500 0.5900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2952]
_cell_length_b [7.29... |
agm005553722 | Au3Ga2Y2 | data_[Y8Ga8Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1736]
_cell_length_b [19.7882]
_cell_length_c [7.2405]
_ce... |
agm004614469 | Ho2PuTe6Tl3 | data_[Ho4Pu2Tl6Te12]
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
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7388]
_cell_length_b [13... |
oqmd-4967031 | BiTe2Zn | data_[Zn4Bi4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5833]
_cell_length_b [7.5833]
_cell_length_c [7.5833]
_c... |
agm003679705 | Ga7Ni5Pr | data_[Pr2Ga14Ni10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0960]
_cell_length_b [8.7644]
_cell_length_c [8.5469]
_... |
agm001138006 | CeGaLu2 | data_[Ce1Lu2Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4173]
_cell_length_b [3.4173]
_cell_length_c [8.7967]
_... |
oqmd-3042281 | DyReSi | data_[Dy4Re4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2010]
_cell_length_b [6.2010]
_cell_length_c [6.2010]
_c... |
agm001170068 | Al4DyTh | data_[Dy4Th4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9707]
_cell_length_b [7.9707]
_cell_length_c [7.9707]
_... |
agm004359119 | As2PbZn | data_[Zn2As4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.8077]
_cell_length_b [3.6350]
_cell_length_c [7.5573]
_cell... |
agm003523408 | AsF8Zn2 | data_[Zn4As2F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2581]
_cell_length_b [6.8950]
_cell_length_c [4.3481]
_cel... |
agm003532809 | PdRh2Tm8 | data_[Tm16Pd2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1070]
_cell_length_b [4.9090]
_cell_length_c [6.7241]
_... |
agm003673269 | NdSe5Tl5 | data_[Nd2Tl10Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4216]
_cell_length_b [5.9448]
_cell_length_c [9.1726]
... |
agm005935799 | AuCe3Sn3 | data_[Ce12Sn12Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
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 [11.5635]
_cell_length_b [4.6545]
_cell_length_c [15.2912]... |
mp-661707 | Li4O5Te | data_[Li8Te2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1856]
_cell_length_b [5.2585]
_cell_length_c [7.8660]
_cell... |
agm005769332 | BiPd6Tl | data_[Tl1Bi1Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1050]
_cell_length_b [4.1050]
_cell_length_c [8.2285]
_... |
mp-1229119 | AlNi12Pt3 | data_[Al1Ni12Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
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 [3.6218]
_cell_length_b [3.6218]
_cell_length_c [14.5094]... |
oqmd-2892326 | AlMgNa | data_[Na4Mg4Al4]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8562]
_cell_length_b [6.8562]
_cell_length_c [6.8562]
_c... |
agm2000043535 | FeSe2 | data_[Fe12Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4098]
_cell_length_b [11.1583]
_cell_length_c [19.3268]
_cell_angle_alpha [90.0000]
_cel... |
oqmd-6351653 | Br6CuHgK2 | data_[K8Cu4Hg4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7539]
_cell_length_b [10... |
agm002175913 | Mo2O8ThTl | data_[Th1Tl1Mo2O8]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1812]
_cell_length_b [6.18... |
agm004071646 | BeCdHg | data_[Be1Cd1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1850]
_cell_length_b [3.1850]
_cell_length_c [6.3267]
_ce... |
agm006088990 | Hg3PdTl4 | data_[Tl8Hg6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2673]
_cell_length_b [4.7606]
_cell_length_c [29.2679]
_c... |
oqmd-2641837 | AlFeTiY | data_[Y4Ti4Al4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4383]
_cell_length_b [6.43... |
agm001622182 | Ca2CdHNi | data_[Ca2Cd1Ni1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1639]
_cell_length_b [5.1... |
agm2000047501 | RhSe2 | data_[Rh12Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3536]
_cell_length_b [17.0459]
_cell_length_c [19.8492]
_cell_angle_alpha [90.0000]
_cel... |
oqmd-4141828 | CeTc | data_[Ce1Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4317]
_cell_length_b [3.4317]
_cell_length_c [4.5366]
_cell_angle_alpha [90.0000]
_cell_... |
agm003763955 | BiRuSm6 | data_[Sm18Bi3Ru3]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9558]
_cell_length_b [6.9558]
_cell_length_c [20.4769]
_c... |
oqmd-9898190 | Al2Ce2GdMg3Tl | data_[Ce4Gd2Mg6Al4Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Gd 1.2000 1.8000 1.0750
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Amm2]
_cell_lengt... |
agm006017309 | In3Se6Sn | data_[In6Sn2Se12]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.0757]
_cell_length_b [3.9348]
_cell_length_c [13.1308... |
oqmd-9005856 | CuHoRbTe3 | data_[Rb2Ho2Cu2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.2047]
_cell_length_b [... |
oqmd-6340899 | Mn4NdPm3 | data_[Pm6Nd2Mn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8915]
_cell_length_b [5.8915]
_cell_length_c [11.7512]
... |
oqmd-4356256 | LaTbW | data_[La4Tb4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9613]
_cell_length_b [6.9613]
_cell_length_c [6.9613]
_cel... |
oqmd-5148005 | BInOP | data_[In2B2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
B 2.0400 0.8500 0.4100
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5831]
_cell_length_b [5.8442]... |
agm001181540 | CeNi4Os | data_[Ce4Ni16Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9201]
_cell_length_b [6.9201]
_cell_length_c [6.9201]
_... |
agm003688422 | Nd12Ni6Ru | data_[Nd36Ni18Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3721]
_cell_length_b [12.3721]
_cell_length_c [12.1545]... |
agm002320528 | Ir2PuSn2 | data_[Pu2Sn4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3572]
_cell_length_b [4.3572]
_cell_length_c [11.4389]
... |
agm001144629 | Ac2CaNa | data_[Na1Ca1Ac2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4160]
_cell_length_b [4.4160]
_cell_length_c [8.7130]
_... |
agm002573440 | InPZr3 | data_[Zr3In1P1]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8855]
_cell_length_b [4.8855]
_cell_length_c [4.8855]
_cel... |
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