Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003151843 | AgHfY | data_[Y4Hf4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hf 1.3000 1.5500 0.8500
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9422]
_cell_length_b [3.4216]
_cell_length_c [8.8478]
_cel... |
agm001715832 | HgI2NiTe | data_[Ni1Hg1Te1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5233]
_cell_length_b [5.5... |
agm003922447 | AuHgTc2 | data_[Tc4Hg2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6419]
_cell_length_b [2.8877]
_cell_length_c [4.8983]
_ce... |
agm005828105 | Au4HgPt | data_[Hg2Pt2Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2985]
_cell_length_b [2.9799]
_cell_length_c [5.0290]
_c... |
oqmd-4244218 | GaTbW | data_[Tb4Ga4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4147]
_cell_length_b [6.4147]
_cell_length_c [6.4147]
_cel... |
oqmd-4558616 | AgCaGdS3 | data_[Ca4Gd4Ag4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Gd 1.2000 1.8000 1.0750
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9512]
_cell_length_b [12.9... |
oqmd-2354620 | BIr2Nb | data_[Nb4B4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0793]
_cell_length_b [6.0793]
_cell_length_c [6.0793]
_cel... |
mp-1102021 | O4PTb | data_[Tb4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [4.8766]
_cell_length_b [4.8766]
_cell_length_c [11.3137]
_ce... |
agm005992338 | HgIn2Pm8 | data_[Pm16In4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4407]
_cell_length_b [7.4609]
_cell_length_c [16.8726]
_... |
oqmd-3066619 | AlAsTc | data_[Al4Tc4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8980]
_cell_length_b [5.8980]
_cell_length_c [5.8980]
_c... |
agm004345694 | LiMnSc2 | data_[Li3Sc6Mn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1152]
_cell_length_b [3.1152]
_cell_length_c [29.4795]
_ce... |
agm003628930 | CuSiY2 | data_[Y4Cu2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8473]
_cell_length_b [4.1053]
_cell_length_c [7.8786]
_ce... |
agm001080334 | AsBa4H2 | data_[Ba8As2H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.3287]
_cell_length_b [6.3287]
_cell_length_c [14.3022]
_c... |
agm002047091 | CNRu | data_[Ru1C1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7115]
_cell_length_b [2.8419]
_cell_length_c [4.3079]
_cell_a... |
agm005060756 | HfLiMoO4 | data_[Li4Hf4Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.9016]
_cell_length_b [6.42... |
agm003944081 | AuBr2Cl | data_[Au2Br4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7046]
_cell_length_b [7.5631]
_cell_length_c [8.8680]
_ce... |
agm005631121 | AuRhSr2 | data_[Sr4Rh2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1045]
_cell_length_b [4.5225]
_cell_length_c [8.6200]
_... |
oqmd-3950635 | AgNOTe | data_[Ag2Te2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.1814]
_cell_length_b [6.222... |
agm006120462 | BrPr6Sb5 | data_[Pr12Sb10Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8763]
_cell_length_b [13.6223]
_cell_length_c [7.8512]
... |
agm001912880 | NbReRuTc | data_[Nb4Re4Tc4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2875]
_cell_length_b [6.... |
agm003450265 | SbSn2Te4 | data_[Sn4Sb2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.1832]
_cell_length_b [13.9283]
_cell_length_c [4.2254]
_c... |
agm003719545 | AcAg3Pd | data_[Ac4Ag12Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.5048]
_cell_length_b [5.5048]
_cell_length_c [18.2107]
... |
agm004705268 | Cd3Cs4F12Sr | data_[Cs8Sr2Cd6F24]
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
Cd 1.6900 1.5500 1.0900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.2456]
_cell_length_b [9.2... |
agm005422029 | Al4CaPb | data_[Ca4Al16Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0492]
_cell_length_b [8.0492]
_cell_length_c [8.0492]
_... |
agm002347445 | MoNaSe2 | data_[Na3Mo3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5055]
_cell_length_b [3.5055]
_cell_length_c [22.9784]
_c... |
agm001415329 | AuMgPa | data_[Mg1Pa1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pa 1.5000 1.8000 1.0400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.8543]
_cell_length_b [4.8543]
_cell_length_c [3.2076]
_c... |
agm003395038 | CeGa2Sn2 | data_[Ce4Ga8Sn8]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6595]
_cell_length_b [21.6434]
_cell_length_c [4.6113]
_c... |
agm002140823 | Ca2CdCs | data_[Cs4Ca8Cd4]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4554]
_cell_length_b [8.4554]
_cell_length_c [8.4554]
_c... |
agm002162130 | AcAg2Mn | data_[Ac4Mn4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mn 1.5500 1.4000 0.6483
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3523]
_cell_length_b [7.3523]
_cell_length_c [7.3523]
_c... |
agm001253206 | Cd5Ga3In12 | data_[Cd40In96Ga24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.8603]
_cell_length_b [16.8603]
_cell_length_c [16.86... |
agm002646854 | BeCa2Pt | data_[Ca8Be4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0035]
_cell_length_b [7.0035]
_cell_length_c [7.0035]
_c... |
agm004231614 | CoFe2Sc | data_[Sc3Fe6Co3]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7805]
_cell_length_b [2.7805]
_cell_length_c [24.9420]
_ce... |
agm005078258 | FeO6PdTe | data_[Fe2Te2Pd2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7303]
_cell_length_b [4.... |
oqmd-6870628 | BaGeIr2 | data_[Ba2Ge2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.2652]
_cell_length_b [7.6454]
_cell_length_c [5.4577]
_... |
agm001570696 | CdFe2GeTl | data_[Tl1Cd1Fe2Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6001]
_cell_length_b [4... |
agm001374340 | AuLaRhSc | data_[La4Sc4Rh4Au4]
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
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0575]
_cell_length_b [7.... |
agm003877674 | In2ScW | data_[Sc2In4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.9817]
_cell_length_b [8.8034]
_cell_length_c [3.0071]
_cell... |
agm003048732 | Br3CsIn | data_[Cs4In4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3234]
_cell_length_b [4.6960]
_cell_length_c [9.7096]
_... |
oqmd-8104964 | AlRu8 | data_[Al1Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.2238]
_cell_length_b [8.2238]
_cell_length_c [2.5823]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-9001549 | HoNiO6Si2 | data_[Ho4Si8Ni4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9904]
_cell_length_b [8.98... |
agm001184724 | LuNb4Sc | data_[Lu4Sc4Nb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sc 1.3600 1.6000 0.8850
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9741]
_cell_length_b [7.9741]
_cell_length_c [7.9741]
_... |
agm001597682 | Cd2CrCsMg | data_[Cs1Mg1Cr1Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.5926]
_cell_length_b [6... |
agm001508563 | CRb2SrY | data_[Rb2Sr1Y1C1]
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
Y 1.2200 1.8000 1.0400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.9324]
_cell_length_b [7.932... |
agm004567629 | Al4Tb2Y2Zn | data_[Tb4Y4Al8Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.9710]
_cell_length_b [6.9... |
agm004862925 | ErNd4Pr2Sc | data_[Pr2Nd4Er1Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1228]
_cell_length_b [5... |
agm005564496 | Ac5Ag2Os2 | data_[Ac20Ag8Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ag 1.9300 1.6000 1.0867
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.2518]
_cell_length_b [8.3538]
_cell_length_c [8.2823]
_... |
oqmd-9818406 | MoRe6V | data_[V1Re6Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Re 1.9000 1.3500 0.7125
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3599]
_cell_length_b [4.3599]
_cell_length_c [6.2390]
_ce... |
agm003813737 | BrCaSe2 | data_[Ca1Se2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.4672]
_cell_length_b [5.5444]
_cell_length_c [5.0213]
_ce... |
agm004272027 | Ru2SeTe | data_[Te1Ru2Se1]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.2795]
_cell_length_b [3.9684]
_cell_length_c [4.5558]
_ce... |
agm003677203 | AgIn5Sm6 | data_[Sm12In10Ag2]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5299]
_cell_length_b [11.4902]
_cell_length_c [9.8590]
... |
agm003309991 | Rh2Tm3Y2 | data_[Y4Tm6Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8990]
_cell_length_b [3.7872]
_cell_length_c [8.8334]
_cel... |
agm2000039762 | MgSe | data_[Mg14Se14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [18.4653]
_cell_length_b [15.1099]
_cell_length_c [9.3112]
_cell_angle_alpha [90.0000]
_cell... |
agm001578797 | B2FeInTi | data_[Ti1In1Fe1B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9627]
_cell_length_b [3.9... |
agm003556674 | GaSc3Se4 | data_[Sc6Ga2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.3113]
_cell_length_b [7.5750]
_cell_length_c [7.4566]
_... |
agm005632151 | BeDy2Ge3 | data_[Dy16Be8Ge24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Be 1.5700 1.0500 0.5900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.0296]
_cell_length_b [8.1366]
_cell_length_c [14.0529]
... |
agm002998338 | IN2Na2 | data_[Na4I2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.3544]
_cell_length_b [6.3544]
_cell_length_c [3.7761]
_cell... |
agm003668924 | Er7InRh4 | data_[Er14In2Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4096]
_cell_length_b [5.4669]
_cell_length_c [9.5442]
_... |
agm005444275 | AgMn4Tl | data_[Mn16Tl4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1010]
_cell_length_b [7.1010]
_cell_length_c [7.1010]
_... |
agm2000061943 | INV | data_[V2I2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.4515]
_cell_length_b [21.0634]
_cell_length_c [4.8721]
_cell_... |
agm003546862 | Ac3GaIr3 | data_[Ac6Ga2Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.9494]
_cell_length_b [8.9494]
_cell_length_c [6.0033]
_... |
agm002671332 | F2ISn | data_[Sn4I4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
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 [6.7225]
_cell_length_b [6.7225]
_cell_length_c [6.7225]
_cell_... |
agm002689416 | GeKSc2 | data_[K4Sc8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1588]
_cell_length_b [7.1588]
_cell_length_c [7.1588]
_cel... |
agm003916384 | InLa3 | data_[La6In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8696]
_cell_length_b [8.6297]
_cell_length_c [3.8530]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004805947 | Ce2Hg4HoLi | data_[Li3Ce6Ho3Hg12]
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
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2524]
_cell_length_b [5.... |
agm004438108 | Hg2SiZr | data_[Zr2Si2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2031]
_cell_length_b [4.2031]
_cell_length_c [9.2818]
_c... |
agm002264201 | CoNpSn | data_[Np4Co4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6213]
_cell_length_b [4.8153]
_cell_length_c [8.2318]
_ce... |
agm001050121 | HgPmSc | data_[Pm4Sc4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2337]
_cell_length_b [3.5617]
_cell_length_c [8.6934]
_c... |
agm005929693 | Ca3SiZn3 | data_[Ca12Zn12Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8048]
_cell_length_b [4.2659]
_cell_length_c [15.1525]... |
agm005668532 | Np2Ru4Tm3 | data_[Tm6Np4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Np 1.3600 1.7500 1.0000
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5177]
_cell_length_b [4.2143]
_cell_length_c [8.7892]
_c... |
agm002884848 | Fe2STi | data_[Ti4Fe8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.8393]
_cell_length_b [6.8393]
_cell_length_c [4.7414]
_cel... |
agm004564650 | Ba2Bi4HoMg2 | data_[Ba4Ho2Mg4Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0665]
_cell_length_b [4.... |
agm005796537 | I4PbV | data_[V2Pb2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3234]
_cell_length_b [4.3146]
_cell_length_c [7.8204]
_cell_... |
agm002530346 | CdIMo3 | data_[Cd1Mo3I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Mo 2.1600 1.4500 0.7750
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8828]
_cell_length_b [4.8828]
_cell_length_c [4.8828]
_cel... |
agm002896557 | IrSb2Tc | data_[Tc4Sb8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.9670]
_cell_length_b [5.9670]
_cell_length_c [11.8000]
_... |
agm003333068 | Bi4Na3Pd2 | data_[Na6Bi8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6087]
_cell_length_b [4.4749]
_cell_length_c [9.6333]
_c... |
agm001333773 | ErNiRhSn | data_[Er4Ni4Sn4Rh4]
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
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5552]
_cell_length_b [6.... |
agm004649556 | Ho6ScSm2Tm3 | data_[Sm4Ho12Tm6Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0775]
_cell_length_b [10... |
agm005978124 | Au4SmY2 | data_[Sm2Y4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.1466]
_cell_length_b [7.1466]
_cell_length_c [7.0359]
_ce... |
agm001140447 | Au2PrTl | data_[Pr1Tl1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8324]
_cell_length_b [3.8324]
_cell_length_c [6.8357]
_... |
agm004258881 | CaFeIr2 | data_[Ca2Fe2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1594]
_cell_length_b [2.8423]
_cell_length_c [5.3108]
_ce... |
agm005678244 | Ag2Br6Rb | data_[Rb2Ag4Br12]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1615]
_cell_length_b [5.5410]
_cell_length_c [12.7838]
... |
agm003376246 | Cu3Nd3Ni8 | data_[Nd6Cu6Ni16]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0413]
_cell_length_b [8.9701]
_cell_length_c [12.1932]
_... |
agm002870710 | ORuZr2 | data_[Zr8Ru4O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.1803]
_cell_length_b [6.1803]
_cell_length_c [7.4536]
_cel... |
agm2000111102 | Br3Mn | data_[Mn2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.5667]
_cell_length_b [6.5667]
_cell_length_c [17.9551]
_cell_angle_alpha [90.0000]
_cell... |
agm003952760 | CrLa2Tc | data_[La2Cr1Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2553]
_cell_length_b [3.8910]
_cell_length_c [8.0010]
_cell... |
agm002823420 | BiCuPd2 | data_[Cu4Bi4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.3103]
_cell_length_b [7.3103]
_cell_length_c [5.5370]
_c... |
agm003454027 | CeS4Th2 | data_[Ce4Th8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Th 1.3000 1.8000 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9425]
_cell_length_b [13.4433]
_cell_length_c [13.2269]
_c... |
agm001293564 | IrTaTiZr | data_[Zr4Ta4Ti4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5233]
_cell_length_b [6.... |
agm003419024 | BiHg2Li3 | data_[Li3Hg2Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4429]
_cell_length_b [3.4429]
_cell_length_c [10.3057]
... |
agm005554679 | Ge3La2Mg2 | data_[La8Mg8Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1298]
_cell_length_b [4.4684]
_cell_length_c [12.5114]
... |
agm001242747 | PbPuY2 | data_[Y2Pu1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pu 1.2800 1.7500 0.9675
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9597]
_cell_length_b [4.9597]
_cell_length_c [4.6443]
_ce... |
agm2000136537 | Ag2HfI6K | data_[K1Hf1Ag2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hf 1.3000 1.5500 0.8500
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [8.1166]
_cell_length_b [8.1166]... |
agm003395135 | Ag2Pb2Tb | data_[Tb4Ag8Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5748]
_cell_length_b [23.3371]
_cell_length_c [4.5629]
_c... |
agm003473956 | NbTe5Zr2 | data_[Zr8Nb4Te20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5697]
_cell_length_b [14.2569]
_cell_length_c [12.8853]
... |
agm001980498 | Hf2SeTa | data_[Hf6Ta3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1898]
_cell_length_b [3.1898]
_cell_length_c [28.6467]
_c... |
agm002199655 | B2K2O6Yb | data_[K6Yb3B6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Yb 1.1000 1.7500 1.0840
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5393]
_cell_length_b [5.5393]
... |
oqmd-4494887 | BaLi2Sn2 | data_[Ba2Li4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8451]
_cell_length_b [4.8451]
_cell_length_c [11.7815]
... |
agm005172065 | Al2AuNdPd5 | data_[Nd1Al2Pd5Au1]
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
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1105]
_cell_length_b [4... |
agm002036347 | AsBeBrClPd | data_[Be2As2Pd2Br2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_... |
oqmd-2386587 | Cu2SiZn | data_[Zn4Cu8Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.8968]
_cell_length_b [5.8968]
_cell_length_c [5.8968]
_c... |
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