Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
oqmd-6061333 | Al4ErInIr | data_[Er1Al4In1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3574]
_cell_length_b [4... |
agm004035102 | Be2PbRu | data_[Be4Ru2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8199]
_cell_length_b [3.8199]
_cell_length_c [7.7211]
_... |
oqmd-3696004 | LaRbRe | data_[Rb4La4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
La 1.1000 1.9500 1.1720
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2826]
_cell_length_b [7.2826]
_cell_length_c [7.2826]
_c... |
agm004495046 | Ac2In12Pt3Y | data_[Ac6Y3In36Pt9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.6147]
_cell_length_b [9.61... |
agm004658667 | DyEr2Sm6Tm3 | data_[Sm12Dy2Er4Tm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1883]
_cell_length_b [10... |
agm005840031 | Ag4Li2Pd | data_[Li2Ag4Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8886]
_cell_length_b [4.9773]
_cell_length_c [4.9973]
_cel... |
agm004964023 | CuK2O6Re | data_[K2Cu1Re1O6]
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
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9928]
_cell_length_b [5.9928... |
agm002255304 | BGa2Pt2Tb | data_[Tb1Ga2B1Pt2]
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
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3311]
_cell_length_b [4.3... |
agm003020440 | Hg2Pb2Sn | data_[Sn2Hg4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.8422]
_cell_length_b [8.8422]
_cell_length_c [3.7579]
_... |
agm001341082 | CuEuNiTb | data_[Tb4Eu4Cu4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Eu 1.2000 1.8500 1.1985
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9707]
_cell_length_b [6.... |
agm005018988 | AcIrMgSi2 | data_[Ac2Mg2Si4Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2659]
_cell_length_b [4.... |
agm005040655 | CeN3PaTc | data_[Ce2Pa2Tc2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pa 1.5000 1.8000 1.0400
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1424]
_cell_length_b [3.4... |
agm004943746 | Ba2HgLiTl6 | data_[Ba4Li2Tl12Hg2]
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
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3300]
_cell_length_b [6... |
agm002480091 | Ga3PdTc | data_[Ga3Tc1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Tc 1.9000 1.3500 0.7417
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7489]
_cell_length_b [4.7489]
_cell_length_c [4.7489]
_c... |
agm006116177 | Ag4InSr5 | data_[Sr5In1Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9654]
_cell_length_b [3.9654]
_cell_length_c [19.8352]
... |
agm005578763 | Au2Er3Ga3 | data_[Er12Ga12Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4106]
_cell_length_b [10.5780]
_cell_length_c [14.5741]... |
agm001084901 | CoGd4Pb2 | data_[Gd8Co2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Co 1.8800 1.3500 0.7683
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9035]
_cell_length_b [4.9035]
_cell_length_c [17.6495]
... |
agm001558539 | BFeNbZr2 | data_[Zr2Nb1Fe1B1]
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
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 [4.7598]
_cell_length_b [4.7... |
agm003298126 | Au4Si | data_[Si4Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.8478]
_cell_length_b [7.8478]
_cell_length_c [6.1482]
_cell_angle_alpha [90.0000]
_c... |
agm2000038931 | FeTe2 | data_[Fe8Te16]
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
]
_symmetry_space_group_name_H-M [Pba2]
_cell_length_a [6.5835]
_cell_length_b [12.9495]
_cell_length_c [19.0478]
_cell_angle_alpha [90.0000]
_cel... |
agm004999716 | GaSiTc2Th | data_[Th4Ga4Si4Tc8]
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
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8727]
_cell_length_b [10.... |
agm002286044 | MgNi5S | data_[Mg1Ni5S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6266]
_cell_length_b [3.6266]
_cell_length_c [6.3766]
_ce... |
oqmd-6645479 | DyNi2PrSi4 | data_[Pr2Dy2Si8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0322]
_cell_length_b [4.0... |
agm005996502 | La10Pr4Y | data_[La20Pr8Y2]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.1129]
_cell_length_b [10.1129]
_cell_length_c [10.5512]
_... |
agm001112756 | Gd2InLa | data_[La4Gd8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Gd 1.2000 1.8000 1.0750
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8200]
_cell_length_b [7.8200]
_cell_length_c [7.8200]
_c... |
agm004906460 | O8PbSm2U | data_[Sm2U1Pb1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
U 1.3800 1.7500 0.9913
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4612]
_cell_length_b [3.7824]... |
agm003033632 | AlHfRb | data_[Rb2Hf2Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.3540]
_cell_length_b [4.1405]
_cell_length_c [14.0488]
_c... |
agm001163715 | AgMnTh3 | data_[Th3Mn1Ag1]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1868]
_cell_length_b [5.1868]
_cell_length_c [5.1868]
_c... |
agm003133082 | PSc3Tl | data_[Sc18Tl6P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.2163]
_cell_length_b [6.2163]
_cell_length_c [22.3382]
_cel... |
agm004556998 | Er2Pr2ScTm2 | data_[Pr4Er4Tm4Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
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 [11.2536]
_cell_length_b [3.... |
oqmd-5700352 | BN2Rb3 | data_[Rb6B2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.2251]
_cell_length_b [6.2251]
_cell_length_c [6.8819]
_ce... |
agm003053009 | BaCa3Pt | data_[Ba4Ca12Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.0724]
_cell_length_b [7.0129]
_cell_length_c [10.9736... |
agm001603281 | AgBrSc2Tc | data_[Sc2Tc1Ag1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2289]
_cell_length_b [5... |
agm004464781 | LiRu | data_[Li2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0126]
_cell_length_b [4.0126]
_cell_length_c [4.5769]
_cell_angle_alpha [90.0000]
_ce... |
agm005960551 | MoO6Sr3 | data_[Sr18Mo6O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9216]
_cell_length_b [9.9216]
_cell_length_c [11.5908]
_ce... |
agm001343774 | CuHfMoSc | data_[Hf4Sc4Cu4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5542]
_cell_length_b [6.... |
agm001001200 | GeMnNd | data_[Nd4Mn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.6483
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0323]
_cell_length_b [4.0323]
_cell_length_c [15.3533]
... |
agm001907968 | AcEuGeI | data_[Ac4Eu4Ge4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9537]
_cell_length_b [7.95... |
agm002842326 | Br2KRb | data_[K4Rb4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.6814]
_cell_length_b [7.6814]
_cell_length_c [14.8811]
_ce... |
oqmd-5313348 | Cu3RbS4SeSm2 | data_[Rb4Sm8Cu12Se4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_lengt... |
oqmd-6332948 | Hg3S2Tc | data_[Tc1Hg3S2]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2293]
_cell_length_b [4.2293]
_cell_length_c [8.4590]
_cel... |
agm003309037 | Au2Rb2Tl3 | data_[Rb4Tl6Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8004]
_cell_length_b [4.6738]
_cell_length_c [8.8360]
_c... |
oqmd-4564626 | CuGePrS3 | data_[Pr4Cu4Ge4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8613]
_cell_length_b [12.3... |
agm005007669 | GeNdPRh2 | data_[Nd4Ge4P4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1567]
_cell_length_b [12.06... |
agm005155936 | Ba2CuPuSe5 | data_[Ba8Pu4Cu4Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pu 1.2800 1.7500 0.9675
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2920]
_cell_length_b [... |
agm004509371 | Ac2AsCu4Ge3 | data_[Ac2Cu4Ge3As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3960]
_cell_length_b [4.... |
agm001997456 | GaH2Pt | data_[Ga3H6Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8936]
_cell_length_b [2.8936]
_cell_length_c [19.3400]
_cel... |
agm2000069866 | AgNdTe2 | data_[Nd1Ag1Te2]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.9154]
_cell_length_b [4.9154]
_cell_length_c [18.4700]
_... |
agm003471883 | Cs2I5Tm | data_[Cs4Tm2I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tm 1.2500 1.7500 1.0950
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [9.0460]
_cell_length_b [9.0460]
_cell_length_c [10.9683]
_ce... |
agm006031144 | CuSe3Tb4 | data_[Tb8Cu2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.3501]
_cell_length_b [11.6157]
_cell_length_c [3.9992]
_c... |
agm005421230 | AlCu2 | data_[Al4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [2.6020]
_cell_length_b [3.8968]
_cell_length_c [16.7132]
_cell_angle_alpha [90.0000]
_cell_... |
agm006116775 | AuGa4Nd5 | data_[Nd5Ga4Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6780]
_cell_length_b [3.6780]
_cell_length_c [18.7435]
... |
agm2000107101 | EuN3Ru2 | data_[Eu2Ru4N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [19.3519]
_cell_length_b [5.6507]
_cell_length_c [5.8834]
_cel... |
agm002933020 | HgMn2Te2 | data_[Mn4Hg2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7163]
_cell_length_b [3.7163]
_cell_length_c [18.5503]
... |
agm002841561 | InK2Sn | data_[K8In4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.9811]
_cell_length_b [9.9811]
_cell_length_c [6.2711]
_cel... |
agm001131132 | CuEr2Pu | data_[Er2Pu1Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pu 1.2800 1.7500 0.9675
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4196]
_cell_length_b [3.4196]
_cell_length_c [8.4851]
_... |
agm002617212 | HgTiV3 | data_[Ti1V3Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9279]
_cell_length_b [4.9279]
_cell_length_c [4.9279]
_cel... |
agm002660262 | ClCoGa2 | data_[Ga8Co4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6955]
_cell_length_b [6.6955]
_cell_length_c [6.6955]
_c... |
agm004444444 | FeGe | data_[Fe16Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [2.8912]
_cell_length_b [10.5273]
_cell_length_c [13.5552]
_cell_angle_alpha [90.0000]
_ce... |
agm002170757 | AlO3Th | data_[Th2Al2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5772]
_cell_length_b [3.5772]
_cell_length_c [12.2081]
... |
agm003909499 | Cl2TcW | data_[Tc2W2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0452]
_cell_length_b [3.1362]
_cell_length_c [17.8771]
_cel... |
oqmd-5184166 | BiCl6Cs2Li | data_[Cs8Li4Bi4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6474]
_cell_length_b [... |
agm001684344 | Br2GaHfSe | data_[Hf1Ga1Se1Br2]
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
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3145]
_cell_length_b [5... |
agm002339446 | Au3Ge2Tm | data_[Tm2Ge4Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6804]
_cell_length_b [4.6804]
_cell_length_c [12.5137... |
agm005943213 | ILa2Ni2 | data_[La8Ni8I4]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4852]
_cell_length_b [17.9423]
_cell_length_c [4.0487]
_cel... |
agm005842352 | NbPt9Tm2 | data_[Tm2Nb1Pt9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Nb 1.6000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0647]
_cell_length_b [4.0647]
_cell_length_c [12.1775]
... |
agm004113587 | BrCrP2 | data_[Cr2P4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0370]
_cell_length_b [4.4540]
_cell_length_c [10.3553]
_cel... |
agm003363831 | Bi4Pm5Tb2 | data_[Tb4Pm10Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4729]
_cell_length_b [5.6111]
_cell_length_c [37.6431]
_... |
agm005850707 | CsO3Ta | data_[Cs4Ta4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.3515]
_cell_length_b [5.2920]
_cell_length_c [7.4252]
_c... |
agm003394325 | AgPd2Se2 | data_[Ag4Pd8Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.4000]
_cell_length_b [12.0440]
_cell_length_c [7.8413]
_c... |
agm004729312 | CaNd4S8Sm3 | data_[Ca3Nd12Sm9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0718]
_cell_length_b [8.0... |
agm002905459 | Se2TcZn | data_[Zn4Tc4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Tc 1.9000 1.3500 0.7417
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.7650]
_cell_length_b [5.7650]
_cell_length_c [11.0016]
_... |
agm002452868 | Co3PdY | data_[Y1Co3Pd1]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5647]
_cell_length_b [4.5647]
_cell_length_c [4.5647]
_cel... |
oqmd-2475099 | CoGaNbRu | data_[Nb4Ga4Co4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1030]
_cell_length_b [6.... |
agm005430996 | BrOs4Y | data_[Y4Os16Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5601]
_cell_length_b [7.5601]
_cell_length_c [7.5601]
_ce... |
agm005225795 | Fe9Ho2Si3 | data_[Ho4Fe18Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8103]
_cell_length_b [9.9162]
_cell_length_c [10.0469]
_... |
oqmd-9361787 | Bi2HoSmZr2 | data_[Sm2Ho2Zr4Bi4]
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
Zr 1.3300 1.5500 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.3424]
_cell_length_b [4.3... |
agm003446609 | BeCs2F4 | data_[Cs4Be2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Be 1.5700 1.0500 0.5900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2815]
_cell_length_b [6.1233]
_cell_length_c [8.5897]
_ce... |
agm003725829 | BiNdPm3 | data_[Pm12Nd4Bi4]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1754]
_cell_length_b [4.0627]
_cell_length_c [15.0136]
... |
oqmd-6312620 | AsMn2Sm | data_[Sm2Mn4As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mn 1.5500 1.4000 0.6483
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1663]
_cell_length_b [4.1663]
_cell_length_c [9.7291]... |
agm002846631 | LiTi2V | data_[Li4Ti8V4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.4487]
_cell_length_b [6.4487]
_cell_length_c [11.2847]
... |
agm003987187 | CrInK2 | data_[K2Cr1In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5872]
_cell_length_b [3.5872]
_cell_length_c [11.1117]
_c... |
agm004696925 | HoK3Np3S8 | data_[K9Ho3Np9S24]
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
Np 1.3600 1.7500 1.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1234]
_cell_length_b [8.1234... |
agm005698084 | Nd5Pm3Tb4 | data_[Tb4Pm3Nd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2964]
_cell_length_b [7.2599]
_cell_length_c [8.9027]
_cel... |
agm005552205 | Dy2Pr3Sc2 | data_[Pr6Dy4Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
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 [16.5395]
_cell_length_b [3.5202]
_cell_length_c [8.5895]
_c... |
agm002855869 | MnNiY2 | data_[Y8Mn4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.6371]
_cell_length_b [7.6371]
_cell_length_c [6.1931]
_cel... |
agm005641407 | Er7Sm2Tm4 | data_[Sm2Er7Tm4]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [6.0000]
_cell_length_b [6.0000]
_cell_length_c [13.2361]
_... |
agm004500338 | CoCu12Ga3Pm2 | data_[Pm6Ga9Co3Cu36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1712]
_cell_length_b [6.... |
agm005473695 | C5Rh | data_[Rh1C5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2427]
_cell_length_b [3.2427]
_cell_length_c [5.3198]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003725189 | MgS3Zr | data_[Mg2Zr2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6c2]
_cell_length_a [6.4372]
_cell_length_b [6.4372]
_cell_length_c [6.4409]
_cel... |
agm006108135 | AcBi5Pm4 | data_[Ac2Pm8Bi10]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6405]
_cell_length_b [6.5753]
_cell_length_c [23.1977]
_... |
oqmd-3715758 | AuSi | data_[Si4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2535]
_cell_length_b [5.2535]
_cell_length_c [5.2535]
_cell_angle_alpha [90.0000]
_cell_... |
agm005812104 | IrLiNi14 | data_[Li2Ni28Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.2079]
_cell_length_b [5.0038]
_cell_length_c [8.6987]
_c... |
agm005040477 | MoN3NdTb | data_[Tb2Nd2Mo2N6]
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
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1743]
_cell_length_b [3.5... |
agm004707791 | C4CeLi3O12 | data_[Li9Ce3C12O36]
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
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.5677]
_cell_length_b [9.5677... |
agm001991797 | CeCu2Hf | data_[Ce4Hf4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7663]
_cell_length_b [6.7663]
_cell_length_c [6.7663]
_c... |
agm002750999 | Pb2YZr | data_[Y4Zr4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4997]
_cell_length_b [7.4997]
_cell_length_c [7.4997]
_cel... |
agm005154362 | Ho2ThTm5Y | data_[Y4Ho8Tm20Th4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7455]
_cell_length_b [8.... |
oqmd-9096571 | Cd2NiP4Sn | data_[Cd4Ni2Sn2P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.7598]
_cell_length_b [5.7598... |
agm004950592 | Ac2NbO6Rb | data_[Rb1Ac2Nb1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ac 1.1000 1.9500 1.2600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.7453]
_cell_length_b [5.745... |
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