Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-7143 | BaPuO3 | data_[Ba1Pu1O3]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4126]
_cell_length_b [4.4126]
_cell_length_c [4.4126]
_cel... |
mp-978090 | PrGeRu | data_[Pr2Ge2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3194]
_cell_length_b [4.3194]
_cell_length_c [6.9766]
_... |
mp-3524 | LiPN2 | data_[Li4P4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.5714]
_cell_length_b [4.5714]
_cell_length_c [7.2898]
_cell_... |
mp-1095635 | Lu(P2Rh3)2 | data_[Lu1P4Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.0223]
_cell_length_b [7.0223]
_cell_length_c [3.7090]
_cel... |
mp-1221233 | Na3TmTi2Nb2O12 | data_[Na3Tm1Ti2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tm 1.2500 1.7500 1.0950
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a... |
mp-1206649 | SmCoGe3 | data_[Sm2Co2Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2896]
_cell_length_b [4.2896]
_cell_length_c [9.8970]
_ce... |
mp-989539 | Rb2AlTlH6 | data_[Rb8Al4Tl4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6867]
_cell_length_b [8.6... |
mp-30621 | DySi2Rh3 | data_[Dy1Si2Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5377]
_cell_length_b [5.5377]
_cell_length_c [3.6804]
_... |
mp-1112786 | Cs2KBiCl6 | data_[Cs8K4Bi4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
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 [11.4945]
_cell_length_b [11... |
mp-557 | TeO2 | data_[Te4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [4.9674]
_cell_length_b [4.9674]
_cell_length_c [7.6228]
_cell_angle_alpha [90.0000]
_cell... |
mp-7575 | LiZnN | data_[Li4Zn4N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [4.9357]
_cell_length_b [4.9357]
_cell_length_c [4.9357]
_cel... |
mp-7323 | RbBe2BO3F2 | data_[Rb3Be6B3O9F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [4.... |
mp-37 | Th | data_[Th4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0412]
_cell_length_b [5.0412]
_cell_length_c [5.0412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-27422 | CsBiF6 | data_[Cs3Bi3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.2491]
_cell_length_b [8.2491]
_cell_length_c [8.5623]
_cell... |
mp-8890 | Cs(SbS2)2 | data_[Cs2Sb4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7322]
_cell_length_b [7.0346]
_cell_length_c [9.8135]
_cell_... |
mp-1105698 | Ba2DyGaSe5 | data_[Ba4Dy2Ga2Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4044]
_cell_length_b [8.7... |
mp-7492 | LaBO3 | data_[La2B2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1882]
_cell_length_b [5.1307]
_cell_length_c [6.4276]
_cell... |
mp-1218019 | SrPbS2 | data_[Sr3Pb3S6]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2769]
_cell_length_b [4.2769]
_cell_length_c [20.9809]
_cel... |
mp-5376 | Y4Ga12Pd | data_[Y8Ga24Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6651]
_cell_length_b [8.6651]
_cell_length_c [8.6651]
_ce... |
mp-1176457 | Mn3OF5 | data_[Mn6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8583]
_cell_length_b [5.8919]
_cell_length_c [7.5749]
_cell_an... |
mp-867352 | TcRh3 | data_[Tc2Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5035]
_cell_length_b [5.5035]
_cell_length_c [4.3412]
_cell_angle_alpha [90.0000]
_ce... |
mp-1188535 | Y6NiI10 | data_[Y6Ni1I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7181]
_cell_length_b [9.7047]
_cell_length_c [9.7309]
_cell_a... |
mp-752943 | Li4Cu(PO4)2 | data_[Li4Cu1P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6792]
_cell_length_b [5.4530]
... |
mp-30 | Cu | data_[Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [3.6213]
_cell_length_b [3.6213]
_cell_length_c [3.6213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1185424 | LiSc2Ga | data_[Li4Sc8Ga4]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7580]
_cell_length_b [6.7580]
_cell_length_c [6.7580]
_c... |
mp-1207056 | YSbPd | data_[Y4Sb4Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6147]
_cell_length_b [6.6147]
_cell_length_c [6.6147]
_cel... |
mp-1184462 | EuHg2Pb | data_[Eu4Hg8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6407]
_cell_length_b [7.6407]
_cell_length_c [7.6407]
_c... |
mp-20166 | Np(SiAu)2 | data_[Np2Si4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2018]
_cell_length_b [4.2018]
_cell_length_c [10.4675]
... |
mp-997015 | PbAuO2 | data_[Pb2Au2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.7510]
_cell_length_b [3.7510]
_cell_length_c [12.4870]
... |
mp-985294 | Ac3Er | data_[Ac6Er2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.8168]
_cell_length_b [7.8168]
_cell_length_c [6.2584]
_cell_angle_alpha [90.0000]
_ce... |
mp-1227402 | Ca2IrPtO6 | data_[Ca4Ir2Pt2O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9247]
_cell_length_b [3.20... |
mp-1523074 | CaEuZr2O6 | data_[Ca2Eu2Zr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Eu 1.2000 1.8500 1.1985
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.1363]
_cell_length_b [8.17... |
mp-6080 | BaNd2CoS5 | data_[Ba4Nd8Co4S20]
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
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8776]
_cell_length_b [7.... |
mp-1210860 | LiFeWClO4 | data_[Li2Fe2W2Cl2O8]
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
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_... |
mp-1221936 | MgMnTe2 | data_[Mg1Mn1Te2]
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 0.8775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5528]
_cell_length_b [4.5528]
_cell_length_c [6.4115]
_c... |
mp-1102327 | LuGaPt | data_[Lu4Ga4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7496]
_cell_length_b [4.3548]
_cell_length_c [7.7744]
_ce... |
mp-756630 | DyAlO3 | data_[Dy4Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3757]
_cell_length_b [7.4487]
_cell_length_c [5.2195]
_cel... |
mp-1225640 | DyGa3Ni | data_[Dy2Ga6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1560]
_cell_length_b [4.1560]
_cell_length_c [10.1980]
_c... |
mp-1217359 | ThU(CuSi)4 | data_[Th1U1Cu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0466]
_cell_length_b [4.0... |
mp-1219535 | ReIr3 | data_[Re3Ir9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7435]
_cell_length_b [2.7435]
_cell_length_c [26.9954]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1177815 | Li2V3SnO8 | data_[Li6V9Sn3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0358]
_cell_length_b [6.0358... |
mp-29194 | Cs2Au2Se3 | data_[Cs8Au8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0082]
_cell_length_b [13.6475]
_cell_length_c [7.6174]
... |
mp-755244 | LiVF4 | data_[Li4V4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.6683]
_cell_length_b [6.6683]
_cell_length_c [6.1983]
_cel... |
mp-1221557 | MnZn(CrS2)4 | data_[Mn4Zn4Cr16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.0902]
_cell_length_b [1... |
mp-30746 | YIr | data_[Y1Ir1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4382]
_cell_length_b [3.4382]
_cell_length_c [3.4382]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-22680 | DyInCu2 | data_[Dy4In4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6263]
_cell_length_b [6.6263]
_cell_length_c [6.6263]
_c... |
mp-22164 | PrNiSn | data_[Pr4Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6201]
_cell_length_b [4.6512]
_cell_length_c [7.4976]
_ce... |
mp-19305 | CaV2O5 | data_[Ca2V4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.6178]
_cell_length_b [11.5572]
_cell_length_c [5.0693]
_cell... |
mp-1227836 | BaNd(FeO3)2 | data_[Ba4Nd4Fe8O24]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9295]
_cell_length_b [7.9... |
mp-1220082 | NdNiRu | data_[Nd4Ni4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1700]
_cell_length_b [5.3206]
_cell_length_c [7.7631]
_ce... |
mp-11742 | CsNdTe2 | data_[Cs3Nd3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Nd 1.1400 1.8500 1.2765
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6833]
_cell_length_b [4.6833]
_cell_length_c [26.8586]
_c... |
mvc-4994 | Ca2MoWO6 | data_[Ca4Mo2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5356]
_cell_length_b [5.75... |
mp-982007 | YTmCu2 | data_[Y4Tm4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8595]
_cell_length_b [6.8595]
_cell_length_c [6.8595]
_cel... |
mp-2640 | TbAs | data_[Tb4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8538]
_cell_length_b [5.8538]
_cell_length_c [5.8538]
_cell_angle_alpha [90.0000]
_cell_... |
mp-5227 | Dy(NiP)2 | data_[Dy2Ni4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8707]
_cell_length_b [3.8707]
_cell_length_c [9.3814]
_ce... |
mp-752797 | Co6OF11 | data_[Co12O2F22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1769]
_cell_length_b [6.7901]
_cell_length_c [7.4096]
_cell_a... |
mp-1113456 | Rb2SbAuCl6 | data_[Rb8Sb4Au4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7535]
_cell_length_b [... |
mp-1188064 | YbAg3 | data_[Yb2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2413]
_cell_length_b [6.2413]
_cell_length_c [4.9319]
_cell_angle_alpha [90.0000]
_ce... |
mp-5939 | PrB2Ru3 | data_[Pr1B2Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5862]
_cell_length_b [5.5862]
_cell_length_c [3.0524]
_ce... |
mp-1077334 | ErMnNi4 | data_[Er4Mn4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8923]
_cell_length_b [6.8923]
_cell_length_c [6.8923]
_... |
mp-1218040 | SrNdScO4 | data_[Sr4Nd4Sc4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.7134]
_cell_length_b [12... |
mp-20156 | NaNdMnWO6 | data_[Na2Nd2Mn2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.8775
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a... |
mp-12952 | HfGaAu | data_[Hf2Ga2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3733]
_cell_length_b [4.3733]
_cell_length_c [6.7108]
_c... |
mp-1223115 | La4Sb2Pb | data_[La16Sb8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.7534]
_cell_length_b [9.7534]
_cell_length_c [9.7900]
_... |
mp-1212369 | Ho2Cu(SiO3)4 | data_[Ho2Cu1Si4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8148]
_cell_length_b [7.085... |
mp-1187499 | TiMnIr2 | data_[Ti4Mn4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1717]
_cell_length_b [6.1717]
_cell_length_c [6.1717]
_c... |
mp-19448 | Ni3TeO6 | data_[Ni9Te3O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.1664]
_cell_length_b [5.1664]
_cell_length_c [13.9432]
_cell... |
mp-1185802 | Mg5Ag | data_[Mg10Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9956]
_cell_length_b [3.1719]
_cell_length_c [16.1149]
_cell_angle_alpha [90.0000]
_cell... |
mp-1103758 | CeAu6 | data_[Ce4Au24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8755]
_cell_length_b [7.8286]
_cell_length_c [9.3145]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8582 | Eu(PRh)2 | data_[Eu2P4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
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 [4.0481]
_cell_length_b [4.0481]
_cell_length_c [9.9736]
_ce... |
mp-11507 | Ni4Mo | data_[Ni8Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.7209]
_cell_length_b [5.7209]
_cell_length_c [3.5557]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1218145 | SrLaTaNiO6 | data_[Sr4La4Ta4Ni4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-9900 | Ag2GeS3 | data_[Ag8Ge4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.9854]
_cell_length_b [7.0648]
_cell_length_c [6.5453]
_... |
mp-1708 | YTe | data_[Y4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1789]
_cell_length_b [6.1789]
_cell_length_c [6.1789]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-20668 | Dy(MnGe)6 | data_[Dy1Mn6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1775]
_cell_length_b [5.1775]
_cell_length_c [8.1425]
_... |
mp-1104303 | La3Ir2 | data_[La27Ir18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9790]
_cell_length_b [8.9790]
_cell_length_c [17.2031]
_cell_angle_alpha [90.0000]
_cell... |
mp-1184408 | EuInHg2 | data_[Eu4In4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5141]
_cell_length_b [7.5141]
_cell_length_c [7.5141]
_c... |
mp-568624 | Tb2B2C3 | data_[Tb4B4C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.3905]
_cell_length_b [13.2917]
_cell_length_c [3.7054]
_cell_... |
mp-546152 | SmBi2ClO4 | data_[Sm1Bi2Cl1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9371]
_cell_length_b [3.9... |
mp-3704 | Cs2Mn3Se4 | data_[Cs8Mn12Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.3324]
_cell_length_b [12.2367]
_cell_length_c [14.7434]... |
mp-7921 | MgPdF6 | data_[Mg3Pd3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1067]
_cell_length_b [5.1067]
_cell_length_c [13.6998]
_cel... |
mp-1217995 | TaAlZn | data_[Ta8Al8Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3410]
_cell_length_b [5.0785]
_cell_length_c [8.6781]
_ce... |
mp-1221630 | MnCuNiSn | data_[Mn4Cu4Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1125]
_cell_length_b [6.... |
mp-626794 | Ni(HO)2 | data_[Ni3H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1596]
_cell_length_b [3.1596]
_cell_length_c [21.8551]
_cell_... |
mp-1105866 | LuNiO3 | data_[Lu4Ni4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1352]
_cell_length_b [5.5241]
_cell_length_c [8.9789]
_c... |
mp-1756 | ThB6 | data_[Th1B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1108]
_cell_length_b [4.1108]
_cell_length_c [4.1108]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-19724 | Cu3Ge | data_[Cu6Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2280]
_cell_length_b [5.3131]
_cell_length_c [4.5524]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1069160 | U2RuC2 | data_[U4Ru2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4416]
_cell_length_b [3.4416]
_cell_length_c [12.5589]
_cel... |
mp-989626 | LaWN3 | data_[La4W4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9711]
_cell_length_b [7.8794]
_cell_length_c [8.5801]
_cell_... |
mp-1179693 | RbMnAs | data_[Rb2Mn2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2083]
_cell_length_b [4.2083]
_cell_length_c [11.0899]
... |
mp-1205801 | Pr2Ge6Pt | data_[Pr4Ge12Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2176]
_cell_length_b [4.1621]
_cell_length_c [22.4540]
_... |
mp-1219919 | Pr2CdSb4 | data_[Pr2Cd1Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4047]
_cell_length_b [4.4047]
_cell_length_c [10.8625]
_... |
mp-1114445 | Rb2NaMoBr6 | data_[Rb8Na4Mo4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Mo 2.1600 1.4500 0.7750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0693]
_cell_length_b [... |
mp-1177862 | Li2PtO2 | data_[Li4Pt2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1185]
_cell_length_b [3.8760]
_cell_length_c [9.0475]
_cell... |
mp-1111923 | K2LiRuF6 | data_[K8Li4Ru4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2069]
_cell_length_b [8.206... |
mp-500 | TaSe2 | data_[Ta2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4742]
_cell_length_b [3.4742]
_cell_length_c [13.7032]
_cell_angle_alpha [90.0000]
_c... |
mp-11991 | Nd2CdNi2 | data_[Nd4Cd2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5143]
_cell_length_b [7.5143]
_cell_length_c [3.8389]
_... |
mp-1207025 | Tm2GaNi2 | data_[Tm4Ga2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1499]
_cell_length_b [5.3523]
_cell_length_c [8.1593]
_ce... |
mp-7572 | MgSO4 | data_[Mg4S4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2196]
_cell_length_b [8.0104]
_cell_length_c [6.6122]
_cell_... |
mp-6192 | Ba2DySbO6 | data_[Ba8Dy4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5236]
_cell_length_b [8.5... |
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