Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002623430 | SbTeY3 | data_[Y3Sb1Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6021]
_cell_length_b [5.6021]
_cell_length_c [5.6021]
_cel... |
agm003118054 | HgNbTe2 | data_[Nb4Hg4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8749]
_cell_length_b [5.3542]
_cell_length_c [11.8315]
... |
agm001099852 | Hg2TiTm | data_[Tm4Ti4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ti 1.5400 1.4000 0.8517
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0601]
_cell_length_b [7.0601]
_cell_length_c [7.0601]
_c... |
oqmd-8027268 | B4PbPm | data_[Pm2B8Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
B 2.0400 0.8500 0.4100
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2567]
_cell_length_b [5.4314]
_cell_length_c [8.8056]
_cell... |
agm002848281 | Be2HfLi | data_[Li4Hf4Be8]
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
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.6181]
_cell_length_b [6.6181]
_cell_length_c [5.1755]
_c... |
agm002712532 | Na2SiTi | data_[Na8Ti4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9378]
_cell_length_b [6.9378]
_cell_length_c [6.9378]
_c... |
agm005042988 | AcAuCuPt3 | data_[Ac4Cu4Pt12Au4]
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
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2115]
_cell_length_b [13... |
agm003623681 | CuGeTb2 | data_[Tb4Cu2Ge2]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8929]
_cell_length_b [4.1906]
_cell_length_c [7.8759]
_... |
agm002090783 | AuLi2Ti | data_[Li4Ti2Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7065]
_cell_length_b [3.0537]
_cell_length_c [9.2342]
_cell... |
agm006018334 | Ca3PmZn8 | data_[Ca3Pm1Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.6321]
_cell_length_b [5.6321]
_cell_length_c [8.8202]
_ce... |
agm001582403 | HgNa2NbTc | data_[Na2Nb1Tc1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.0265]
_cell_length_b [6... |
agm001176490 | Ge4PuSr | data_[Sr4Pu4Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pu 1.2800 1.7500 0.9675
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0973]
_cell_length_b [8.0973]
_cell_length_c [8.0973]
_... |
agm001256723 | C5Pd3Pr12 | data_[Pr96Pd24C40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pd 2.2000 1.4000 0.8462
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.2238]
_cell_length_b [16.2238]
_cell_length_c [16.2238... |
agm004651051 | BiI3Pb6Sb2 | data_[Bi2Sb4Pb12I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
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 [8.1284]
_cell_length_b [14.0... |
agm002853501 | CuMgMn2 | data_[Mg4Mn8Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.6483
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.0911]
_cell_length_b [7.0911]
_cell_length_c [5.2417]
_c... |
agm002232486 | P2Rb2Ru | data_[Rb8P8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.6650]
_cell_length_b [15.9888]
_cell_length_c [5.3727]
_cel... |
agm004228952 | AuTeTl2 | data_[Tl4Te2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.0652]
_cell_length_b [8.5851]
_cell_length_c [4.5682]
_ce... |
agm2000103018 | Br3I3Ru | data_[Ru2I6Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [3.5797]
_cell_length_b [19.4757]
_cell_length_c [24.6903]
_cell... |
agm005893007 | CuSb3Sn2 | data_[Cu4Sn8Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.8581]
_cell_length_b [13.5992]
_cell_length_c [7.8414]
_ce... |
agm005892180 | F5PrTl2 | data_[Pr4Tl8F20]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.5556]
_cell_length_b [7.7818]
_cell_length_c [7.0841]
_ce... |
agm006078146 | Ac4HoY5 | data_[Ac4Y5Ho1]
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
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8145]
_cell_length_b [3.8145]
_cell_length_c [25.2360]
_c... |
agm002151719 | GaPbSe2 | data_[Ga4Pb4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0196]
_cell_length_b [8.0196]
_cell_length_c [6.5162]
_... |
agm005110240 | In2SnZn | data_[Zn3In6Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5171]
_cell_length_b [3.5171]
_cell_length_c [27.8923]
_ce... |
agm005772501 | Ca2O6Tc | data_[Ca4Tc2O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5772]
_cell_length_b [5.9399]
_cell_length_c [9.1558]
_c... |
agm004356450 | CuFe2Rh | data_[Fe6Cu3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.6468]
_cell_length_b [2.6468]
_cell_length_c [25.3685]
_ce... |
oqmd-5676438 | AgCsO | data_[Cs4Ag4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9042]
_cell_length_b [10.7391]
_cell_length_c [5.5131]
_cel... |
agm001220378 | Gd2LuPr | data_[Pr1Gd2Lu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Gd 1.2000 1.8000 1.0750
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0521]
_cell_length_b [5.0521]
_cell_length_c [5.0883]
_... |
agm005505372 | C3Ru2 | data_[Ru16C24]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.6923]
_cell_length_b [12.9132]
_cell_length_c [2.9755]
_cell_angle_alpha [90.0000]
_cell... |
agm005826531 | Ca6IrPt | data_[Ca12Ir2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.8525]
_cell_length_b [6.8525]
_cell_length_c [13.4025]
... |
agm001844649 | FePuTm | data_[Tm2Pu2Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pu 1.2800 1.7500 0.9675
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.2970]
_cell_length_b [3.2970]
_cell_length_c [12.0523]
_c... |
oqmd-6426881 | AuPbSm2 | data_[Sm4Pb2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6126]
_cell_length_b [4.1907]
_cell_length_c [11.5983]
_c... |
agm002177982 | P2Ta | data_[Ta4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5852]
_cell_length_b [3.3461]
_cell_length_c [8.2625]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm003730862 | Er3PrRh | data_[Pr4Er12Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9598]
_cell_length_b [7.3147]
_cell_length_c [10.0934]... |
oqmd-2003026 | FeGe2LiO6 | data_[Li4Fe4Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1082]
_cell_length_b [8.5... |
agm004822321 | LiNpSe4Sm2 | data_[Li1Sm2Np1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1289]
_cell_length_b [4.1... |
agm003321488 | Ac7In2Rh2 | data_[Ac14In4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.6711]
_cell_length_b [12.2431]
_cell_length_c [7.6406]
_... |
agm002649364 | BrIrPt2 | data_[Ir4Pt8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4506]
_cell_length_b [6.4506]
_cell_length_c [6.4506]
_c... |
agm001260242 | BrCsRb | data_[Cs1Rb1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0769]
_cell_length_b [5.0769]
_cell_length_c [8.7780]
_ce... |
oqmd-6348507 | DyGd2HoIn2 | data_[Gd2Dy1Ho1In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.4024]
_cell_length_b [5.... |
agm004506744 | Ge3La2Pt4Zn | data_[La2Zn1Ge3Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4091]
_cell_length_b [4.... |
agm001626067 | MgNScTi2 | data_[Mg1Sc1Ti2N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2227]
_cell_length_b [4.2... |
agm004918211 | DyMgS8Y4 | data_[Dy3Y12Mg3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9838]
_cell_length_b [7.9838... |
agm004993274 | CEr2HgTc | data_[Er2Tc1Hg1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tc 1.9000 1.3500 0.7417
Hg 2.0000 1.5000 1.2450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9312]
_cell_length_b [4.9... |
agm006049384 | Ag4AlLi4 | data_[Li8Al2Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.1991]
_cell_length_b [8.1991]
_cell_length_c [4.3524]
_... |
agm006080379 | GaS5Sm7 | data_[Sm28Ga4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9998]
_cell_length_b [13.2761]
_cell_length_c [23.9679]
_... |
agm001642366 | AuMg2NRu | data_[Mg2Ru1Au1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ru 2.2000 1.3000 0.6610
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3902]
_cell_length_b [4.3... |
agm004505744 | BCo3Ga2Pm3 | data_[Pm3Ga2Co3B1]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2996]
_cell_length_b [7.29... |
agm004753781 | Ga2Ir2PaSr | data_[Sr1Pa1Ga2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pa 1.5000 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3854]
_cell_length_b [4.... |
agm003585267 | HoMg8Y3 | data_[Y9Ho3Mg24]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.0551]
_cell_length_b [6.0551]
_cell_length_c [29.4362]
_cel... |
agm001029096 | CuTaTb | data_[Tb2Ta2Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2260]
_cell_length_b [3.2260]
_cell_length_c [11.3848]
... |
agm004748207 | Ga2Ni2PmSi | data_[Pm1Ga2Si1Ni2]
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
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3013]
_cell_length_b [4... |
agm001292198 | CuLuOsTi | data_[Lu4Ti4Cu4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4534]
_cell_length_b [6.... |
agm002759063 | Br2CaGa | data_[Ca3Ga3Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4416]
_cell_length_b [4.4416]
_cell_length_c [27.4212]
_c... |
agm005469463 | BaFe4Ni | data_[Ba4Fe16Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2851]
_cell_length_b [7.2851]
_cell_length_c [7.2851]
_... |
agm005041631 | AcGaN3Y | data_[Ac2Y2Ga2N6]
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
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6006]
_cell_length_b [3.544... |
agm002916931 | ClLa2Ni2 | data_[La4Ni4Cl2]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3869]
_cell_length_b [5.3869]
_cell_length_c [7.7424]
_... |
oqmd-5640933 | BHoPt2 | data_[Ho3B3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_422]
_cell_length_a [5.3340]
_cell_length_b [5.3340]
_cell_length_c [7.9655]
_ce... |
agm003533874 | Bi2Dy8Pb | data_[Dy16Bi4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5609]
_cell_length_b [5.1857]
_cell_length_c [6.9854]
_... |
agm001626909 | CIrPbY2 | data_[Y2Ir1Pb1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0971]
_cell_length_b [5.097... |
oqmd-3547392 | Ni5Sn5V4 | data_[V8Ni10Sn10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.1847]
_cell_length_b [9.1847]
_cell_length_c [5.8096]
_cel... |
agm003444102 | Cu2FePd4 | data_[Fe2Cu4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3676]
_cell_length_b [5.1333]
_cell_length_c [7.1121]
_... |
agm003344148 | Cd2Pr3Tb5 | data_[Tb20Pr12Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [13.3669]
_cell_length_b [14.8068]
_cell_length_c [6.6973]... |
agm005837414 | CdPt9Zr2 | data_[Zr2Cd1Pt9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0495]
_cell_length_b [4.0495]
_cell_length_c [12.1392]
... |
agm001553311 | La2NbSbSi | data_[La2Nb1Si1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5591]
_cell_length_b [5... |
agm005796497 | Cl4GaPu | data_[Pu4Ga4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ga 1.8100 1.3000 0.7600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.3436]
_cell_length_b [8.6542]
_cell_length_c [12.7716]
_... |
agm005759548 | CdCu6Ga | data_[Cd1Ga1Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8063]
_cell_length_b [3.8063]
_cell_length_c [7.3949]
_... |
agm005511858 | SiTe2 | data_[Si4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.2304]
_cell_length_b [8.2304]
_cell_length_c [8.0183]
_cell_angle_alpha [90.0000]
_ce... |
agm003318726 | Ac2Ga2Te7 | data_[Ac4Ga4Te14]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8037]
_cell_length_b [13.5684]
_cell_length_c [7.4238]
_... |
oqmd-2580210 | AuCrLiSi | data_[Li4Cr4Si4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1323]
_cell_length_b [6.... |
agm005033429 | IrSSeTh3 | data_[Th6Ir2Se2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5098]
_cell_length_b [4.0... |
agm004795151 | Au4CdMg2Nd | data_[Nd3Mg6Cd3Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
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 [R-3m]
_cell_length_a [4.6844]
_cell_length_b [4.... |
agm2000040478 | Se3Tl2 | data_[Tl4Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0461]
_cell_length_b [6.0677]
_cell_length_c [22.4342]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001849616 | GdLaSb | data_[La2Gd2Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1273]
_cell_length_b [4.1273]
_cell_length_c [10.7419]
_c... |
agm005150334 | CuGaO5Sr2 | data_[Sr8Ga4Cu4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4917]
_cell_length_b [13... |
agm002397248 | AlIn3Pd | data_[Al1In3Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1689]
_cell_length_b [5.1689]
_cell_length_c [5.1689]
_c... |
agm003504154 | B6PaTc2 | data_[Pa2Tc4B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Tc 1.9000 1.3500 0.7417
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1504]
_cell_length_b [6.6629]
_cell_length_c [8.6155]
_cel... |
agm003307027 | Pb3Sn2Sr2 | data_[Sr4Sn4Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4236]
_cell_length_b [22.8556]
_cell_length_c [4.6839]
_c... |
agm004471600 | Br6Cs2PSr | data_[Cs4Sr2P2Br12]
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
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.9155]
_cell_length_b [7.... |
agm001330195 | CdInNdPm | data_[Pm4Nd4Cd4In4]
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
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7194]
_cell_length_b [7.... |
agm005027818 | DyErNdPm3 | data_[Pm6Nd2Dy2Er2]
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
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0658]
_cell_length_b [5... |
agm003156378 | HgPuRh | data_[Pu2Hg2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.2758]
_cell_length_b [3.2758]
_cell_length_c [11.7886]
_c... |
agm001122771 | Eu2FPd | data_[Eu2Pd1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4729]
_cell_length_b [3.4729]
_cell_length_c [7.4126]
_ce... |
agm004774072 | Cu2GaSe4Sr | data_[Sr2Ga2Cu4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.7616]
_cell_length_b [6.... |
agm004567701 | Cd2Dy2PRh4 | data_[Dy4Cd4P2Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2023]
_cell_length_b [6.2... |
agm005091194 | Cl6CrScTl | data_[Sc2Tl2Cr2Cl12]
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
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7996]
_cell_length_b [11.0... |
agm002640223 | BHg2Se | data_[Hg8B4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
B 2.0400 0.8500 0.4100
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9626]
_cell_length_b [6.9626]
_cell_length_c [6.9626]
_cel... |
agm003024279 | Ag2Bi2Ti | data_[Ti2Ag4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5997]
_cell_length_b [7.5997]
_cell_length_c [4.0784]
_... |
agm005029755 | AcBN3Sm | data_[Ac2Sm2B2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7553]
_cell_length_b [5.7... |
agm005791627 | AlHfPd5 | data_[Hf1Al1Pd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0426]
_cell_length_b [4.0426]
_cell_length_c [6.9902]
_... |
agm005888333 | Te3Tl2Zn | data_[Tl8Zn4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2555]
_cell_length_b [4.5383]
_cell_length_c [19.3972]
_... |
agm001430437 | Ca2CdNTc | data_[Ca2Cd1Tc1N1]
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
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9067]
_cell_length_b [5.9... |
agm003023870 | Tc2TeTi2 | data_[Ti4Tc4Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3281]
_cell_length_b [7.3281]
_cell_length_c [3.2070]
_... |
agm1000009230 | Fe2S3 | data_[Fe8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [5.2706]
_cell_length_b [31.0187]
_cell_length_c [17.9087]
_cell_angle_alpha [90.0000]
_cell_... |
agm001444218 | CdGeOsPt2 | data_[Cd1Ge1Os1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9491]
_cell_length_b [4... |
agm002469875 | FReSr3 | data_[Sr3Re1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Re 1.9000 1.3500 0.7125
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1060]
_cell_length_b [5.1060]
_cell_length_c [5.1060]
_cel... |
agm2000066509 | MnSrTe3 | data_[Sr2Mn2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.6483
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.3864]
_cell_length_b [4.5166]
_cell_length_c [19.0232]
_ce... |
agm003601783 | GeSbTe | data_[Ge4Sb4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5611]
_cell_length_b [5.2878]
_cell_length_c [6.3371]
_c... |
agm006040089 | Pb4Pd15Pr | data_[Pr1Pd15Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1390]
_cell_length_b [4.1390]
_cell_length_c [20.6077]... |
oqmd-6269241 | As2Gd4Li | data_[Li1Gd4As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [5.5894]
_cell_length_b [5.5894]
_cell_length_c [6.6979]
_c... |
oqmd-2467205 | BNiPtTc | data_[Tc4Ni4B4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7257]
_cell_length_b [5.72... |
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