Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004906449 | Fe2O8PbU | data_[U2Fe4Pb2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.6849]
_cell_length_b [7.0680... |
oqmd-6724695 | Cu2La2O2SeTe | data_[La2Cu2Te1Se1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_... |
agm005840237 | Al2AuPt9 | data_[Al2Pt9Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9441]
_cell_length_b [3.9441]
_cell_length_c [11.9346]
... |
agm005842278 | Hg2NaPd4 | data_[Na2Hg4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9379]
_cell_length_b [4.9191]
_cell_length_c [5.1165]
_c... |
agm005636525 | Ac2AgAu3 | data_[Ac4Ag2Au6]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2860]
_cell_length_b [4.2939]
_cell_length_c [18.0027]
_c... |
oqmd-9068105 | CoN3Pr2 | data_[Pr4Co2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6368]
_cell_length_b [3.6507]
_cell_length_c [12.6912]
_cel... |
agm2000046119 | O3Y2 | data_[Y6O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [14.8196]
_cell_length_b [14.8196]
_cell_length_c [15.0012]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005798121 | CdHoSm14 | data_[Sm14Ho1Cd1]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.1571]
_cell_length_b [7.1571]
_cell_length_c [10.1897]... |
agm004442673 | HI | data_[H6I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7678]
_cell_length_b [5.8815]
_cell_length_c [9.7530]
_cell_angle_alpha [90.0000]
_cell_ang... |
oqmd-4494770 | Be2Ir2Y | data_[Y2Be4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9712]
_cell_length_b [3.9712]
_cell_length_c [9.6409]
_ce... |
agm003815485 | Fe2Mn | data_[Mn1Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.4643]
_cell_length_b [2.4643]
_cell_length_c [6.0887]
_cell_angle_alpha [90.0000]
_cell_... |
agm005124644 | HfMgTb2 | data_[Tb6Hf3Mg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Hf 1.3000 1.5500 0.8500
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.3629]
_cell_length_b [3.3629]
_cell_length_c [33.4464]
_ce... |
agm002190041 | PdPr2Tc | data_[Pr8Tc4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tc 1.9000 1.3500 0.7417
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1860]
_cell_length_b [7.1860]
_cell_length_c [7.1860]
_c... |
agm005740242 | Be10Ni2Sc | data_[Sc4Be40Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Be 1.5700 1.0500 0.5900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.4836]
_cell_length_b [10.5467]
_cell_length_c [10.7199]
... |
agm002552216 | NbSnTc3 | data_[Nb1Tc3Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7415]
_cell_length_b [4.7415]
_cell_length_c [4.7415]
_c... |
agm004050339 | AuLiRu | data_[Li4Ru4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [2.9203]
_cell_length_b [4.5169]
_cell_length_c [13.9141]
_c... |
agm001334421 | LiNpSnZn | data_[Li4Np4Zn4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Np 1.3600 1.7500 1.0000
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0793]
_cell_length_b [7.... |
agm002845836 | LiRhSi2 | data_[Li4Si8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.6423]
_cell_length_b [3.6423]
_cell_length_c [16.9333]
_... |
agm003155938 | GdIrU | data_[Gd2U2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
U 1.3800 1.7500 0.9913
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5621]
_cell_length_b [3.5621]
_cell_length_c [10.7720]
_cel... |
agm002922355 | Cs2GaPb2 | data_[Cs4Ga2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4637]
_cell_length_b [4.4637]
_cell_length_c [24.2451]
... |
agm003561139 | AcBi4Pm3 | data_[Ac2Pm6Bi8]
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 [Cmmm]
_cell_length_a [9.3226]
_cell_length_b [13.1693]
_cell_length_c [4.6580]
_c... |
oqmd-1992950 | HfO3Tl | data_[Hf6Tl6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6112]
_cell_length_b [5.6112]
_cell_length_c [16.2161]
_cel... |
agm005504117 | CMn2 | data_[Mn18C9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.6390]
_cell_length_b [2.6390]
_cell_length_c [40.3488]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001531949 | AgCd2GaPt | data_[Cd2Ga1Ag1Pt1]
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
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2303]
_cell_length_b [5... |
agm005927422 | Er3Tm12Zr | data_[Er3Tm12Zr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9101]
_cell_length_b [4.9101]
_cell_length_c [19.5867]... |
agm003020596 | AuPb2Sr2 | data_[Sr4Pb4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.9568]
_cell_length_b [7.9568]
_cell_length_c [5.1174]
_... |
mp-760050 | FeLi7O60Sc9Si20 | data_[Li14Sc18Fe2Si40O120]
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
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_leng... |
agm001487209 | CdHg2OsSb | data_[Cd1Hg2Sb1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2118]
_cell_length_b [5... |
agm001940642 | DySn2Tl | data_[Dy3Tl3Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9939]
_cell_length_b [4.9939]
_cell_length_c [24.1731]
_c... |
agm2000007927 | MnS | data_[Mn1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4027]
_cell_length_b [4.8284]
_cell_length_c [15.0000]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001577051 | CuTiW2Zn | data_[Ti1Zn1Cu1W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5510]
_cell_length_b [4.5... |
agm005186386 | CaDyHgZn | data_[Ca1Dy1Zn1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7012]
_cell_length_b [3.7... |
agm003090104 | BeLiTa | data_[Li2Ta2Be2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.7953]
_cell_length_b [2.7953]
_cell_length_c [11.2810]
_c... |
agm002932897 | Ir2Mn2Ni | data_[Mn4Ni2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7821]
_cell_length_b [3.7821]
_cell_length_c [9.9448]
_... |
agm001179301 | Mg4TbTm | data_[Tb4Tm4Mg16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.5101]
_cell_length_b [8.5101]
_cell_length_c [8.5101]
_... |
oqmd-9918288 | Au2CuErMg3Tm2 | data_[Er2Tm4Mg6Cu2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_lengt... |
oqmd-2389866 | Mg3Pr | data_[Pr2Mg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8523]
_cell_length_b [6.8523]
_cell_length_c [5.2415]
_cell_angle_alpha [90.0000]
_ce... |
oqmd-9930032 | CaFe4Ga2Nd2 | data_[Ca2Nd4Ga4Fe8]
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
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4648]
_cell_length_b [4.... |
agm005199804 | NdPSTh | data_[Nd1Th1P1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Th 1.3000 1.8000 1.0800
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1015]
_cell_length_b [4.101... |
agm005838418 | CdNd2Tl4 | data_[Nd4Tl8Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8316]
_cell_length_b [5.8316]
_cell_length_c [13.1017]
... |
agm004011881 | PRhZn | data_[Zn4P4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7588]
_cell_length_b [5.7588]
_cell_length_c [5.7588]
_cel... |
agm006079847 | Cs4I7Sc | data_[Cs8Sc2I14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sc 1.3600 1.6000 0.8850
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3106]
_cell_length_b [5.7956]
_cell_length_c [14.9781]
_c... |
agm005963453 | La4PrTl3 | data_[La12Pr3Tl9]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6501]
_cell_length_b [5.6501]
_cell_length_c [28.6345]
_... |
agm005700808 | PaSiTe | data_[Pa2Si2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1274]
_cell_length_b [4.1274]
_cell_length_c [8.6059]
_... |
agm004160366 | BePbRh2 | data_[Be2Rh4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3635]
_cell_length_b [3.0771]
_cell_length_c [4.6144]
_cell... |
agm005189121 | DyNdTlTm | data_[Nd1Dy1Tm1Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.8265]
_cell_length_b [4.8... |
agm005645849 | Ag9Al4Cd2 | data_[Al4Cd2Ag9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5851]
_cell_length_b [4.5851]
_cell_length_c [14.7040]
_... |
oqmd-9127609 | BaCuNdO5Ru | data_[Ba1Nd1Cu1Ru1O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_... |
agm001595835 | IORhY2 | data_[Y2Rh1I1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6237]
_cell_length_b [5.6237]... |
mp-1215439 | GaPSeZn | data_[Zn3Ga3P3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9599]
_cell_length_b [3.9599... |
agm003046524 | BeIrRe | data_[Be4Re4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Re 1.9000 1.3500 0.7125
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.0903]
_cell_length_b [4.0059]
_cell_length_c [7.5068]
_ce... |
agm004984026 | FeMnO6Sr2 | data_[Sr2Mn1Fe1O6]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8985]
_cell_length_b [3.8... |
agm002829819 | CdFeGe2 | data_[Cd4Fe4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [I-42d]
_cell_length_a [4.3118]
_cell_length_b [4.3118]
_cell_length_c [16.6492]
_... |
agm001638924 | AsBaRbSr2 | data_[Rb1Ba1Sr2As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.2797]
_cell_length_b [6... |
agm001396734 | PbPdPmTh | data_[Pm4Th4Pd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Th 1.3000 1.8000 1.0800
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5725]
_cell_length_b [7.... |
agm005023905 | NaPaPtSe3 | data_[Na4Pa4Pt4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pa 1.5000 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0216]
_cell_length_b [14... |
agm002741287 | IrRe2Sn | data_[Re8Sn4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3663]
_cell_length_b [6.3663]
_cell_length_c [6.3663]
_c... |
agm004819801 | AsSe2SnTm4 | data_[Tm4Sn1As1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1328]
_cell_length_b [4.1... |
agm006125420 | Au4LiSn5 | data_[Li2Sn10Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9238]
_cell_length_b [4.5515]
_cell_length_c [6.6852]
_... |
agm002690309 | LaRe2Ta | data_[La4Ta4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7046]
_cell_length_b [6.7046]
_cell_length_c [6.7046]
_c... |
agm002958915 | B2FeN2 | data_[Fe2B4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.6380]
_cell_length_b [5.6380]
_cell_length_c [2.7043]
_cell... |
oqmd-9011676 | CdNTa2 | data_[Ta4Cd2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cd 1.6900 1.5500 1.0900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.1271]
_cell_length_b [3.1271]
_cell_length_c [14.5242]
... |
agm001389406 | HfInScTc | data_[Hf4Sc4In4Tc4]
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
In 1.7800 1.5500 0.9400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7679]
_cell_length_b [6.... |
agm005189468 | BrHSeZr | data_[Zr3H3Se3Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6145]
_cell_length_b [3.6145... |
agm001997140 | BrSr2Tb | data_[Sr6Tb3Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tb 1.1000 1.7500 0.9815
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8824]
_cell_length_b [3.8824]
_cell_length_c [35.8818]
_c... |
oqmd-4042515 | CrNiOS | data_[Cr2Ni2S2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.3084]
_cell_length_b [3.308... |
oqmd-4289869 | CuNiSm | data_[Sm4Cu4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
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 [6.1849]
_cell_length_b [6.1849]
_cell_length_c [6.1849]
_c... |
agm004651585 | Dy3La2MgPr6 | data_[La4Pr12Dy6Mg2]
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
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3059]
_cell_length_b [10... |
agm003289491 | Ni3Te4 | data_[Ni24Te32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.7203]
_cell_length_b [10.7203]
_cell_length_c [10.7203]
_cell_angle_alpha [90.0000]
_... |
agm002813895 | Cl2CrZn | data_[Zn4Cr4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.6191]
_cell_length_b [7.6191]
_cell_length_c [9.4069]
_c... |
agm005950546 | CaTb3Zn4 | data_[Ca1Tb3Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0833]
_cell_length_b [5.0833]
_cell_length_c [7.2273]
_... |
agm005019167 | MnPaSi2W | data_[Pa2Mn2Si4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Si 1.9000 1.1000 0.5400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9448]
_cell_length_b [3.94... |
agm005756288 | Mn2S6Sn | data_[Mn4Sn2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6018]
_cell_length_b [3.4915]
_cell_length_c [8.0004]
_ce... |
agm001700631 | F2GaO2 | data_[Ga1O2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8461]
_cell_length_b [3.8461]
_cell_length_c [3.9162]
_cell... |
oqmd-1967371 | O7Pt2Tl2 | data_[Tl16Pt16O56]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.2192]
_cell_length_b [10.2192]
_cell_length_c [10.2192... |
agm004273516 | BeTeZn2 | data_[Be2Zn4Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.3193]
_cell_length_b [4.3193]
_cell_length_c [7.7457]
_c... |
agm001081392 | CuIn4Na2 | data_[Na4In8Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0550]
_cell_length_b [5.0550]
_cell_length_c [16.2551]
... |
agm006140696 | B3N3Tc | data_[Tc2B6N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [4.6931]
_cell_length_b [4.6931]
_cell_length_c [4.6931]
_cell_... |
agm001578780 | B2ScSrTi | data_[Sr1Sc1Ti1B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6088]
_cell_length_b [4.6... |
oqmd-3119459 | AlNaRhSb | data_[Na4Al4Sb4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5643]
_cell_length_b [6.... |
agm006019659 | Al2HgLa4 | data_[La12Al6Hg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3934]
_cell_length_b [5.3934]
_cell_length_c [25.9069]
_... |
agm002723062 | Cr2OsP | data_[Cr8P4Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8303]
_cell_length_b [5.8303]
_cell_length_c [5.8303]
_cel... |
agm002149898 | CdFe3 | data_[Cd1Fe3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8065]
_cell_length_b [3.8065]
_cell_length_c [3.8065]
_cell_angle_alpha [90.0000]
_cell_... |
agm002941265 | Pt2RbTl2 | data_[Rb2Tl4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9053]
_cell_length_b [4.9053]
_cell_length_c [11.1815]
... |
agm004860640 | ErIn2PbS4 | data_[Er1In2Pb1S4]
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
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2265]
_cell_length_b [3.987... |
agm002108394 | AsMoNa | data_[Na1Mo1As1]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3324]
_cell_length_b [4.3324]
_cell_length_c [3.5956]
_c... |
oqmd-3620359 | AlHfPb | data_[Hf4Al4Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6979]
_cell_length_b [6.6979]
_cell_length_c [6.6979]
_c... |
agm005863579 | CeIn3Y | data_[Ce6Y6In18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1163]
_cell_length_b [6.1163]
_cell_length_c [26.2275]
_ce... |
mp-1217673 | O3Tb2 | data_[Tb2O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.8087]
_cell_length_b [3.8087]
_cell_length_c [5.5879]
_cell_angle_alpha [90.0000]
_cell_an... |
agm003972812 | Cl2TcW | data_[Tc1W1Cl2]
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 [P4mm]
_cell_length_a [2.9429]
_cell_length_b [2.9429]
_cell_length_c [8.7322]
_cell... |
agm005916992 | GeLi3Zn | data_[Li12Zn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2130]
_cell_length_b [4.2225]
_cell_length_c [5.5155]
_... |
agm002198928 | AsRuYb | data_[Yb4As4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1585]
_cell_length_b [4.1585]
_cell_length_c [16.0272... |
agm003829894 | MoRhSb2 | data_[Sb4Mo2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4042]
_cell_length_b [4.4101]
_cell_length_c [10.0752]
_c... |
agm003392861 | InLa2Sm2 | data_[La8Sm8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4461]
_cell_length_b [5.6302]
_cell_length_c [9.7676]
_c... |
agm003666283 | In7Sn4Tl | data_[Tl2In14Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8852]
_cell_length_b [6.1642]
_cell_length_c [9.9370]
_... |
agm004653905 | Dy3HfN6Zr2 | data_[Dy6Hf2Zr4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7759]
_cell_length_b [9.98... |
agm004444899 | FRb | data_[Rb8F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [8.5274]
_cell_length_b [8.5274]
_cell_length_c [8.5274]
_cell_angle_alpha [90.0000]
_cell_an... |
agm004764482 | O4OsRb2Sr | data_[Rb4Sr2Os2O8]
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
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.4625]
_cell_length_b [6.4625... |
agm002775071 | CrO2Sb | data_[Cr3Sb3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5185]
_cell_length_b [3.5185]
_cell_length_c [18.6715]
_cel... |
agm003432746 | Ir3RuTc2 | data_[Tc8Ir12Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.6954]
_cell_length_b [8.7171]
_cell_length_c [4.6864]
... |
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