Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-25258 | LiNiO2 | data_[Li8Ni8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1956]
_cell_length_b [2.8422]
_cell_length_c [5.2268]
_ce... |
mp-1103508 | Sr3MgTa2O9 | data_[Sr3Mg1Ta2O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7203]
_cell_length_b [5.72... |
mp-867320 | Ho2ZnRu | data_[Ho8Zn4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9295]
_cell_length_b [6.9295]
_cell_length_c [6.9295]
_c... |
mp-754608 | VSiO3 | data_[V8Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7075]
_cell_length_b [9.1370]
_cell_length_c [5.0547]
_cell_... |
mp-1178745 | Y5Pt3 | data_[Y10Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.5117]
_cell_length_b [8.5117]
_cell_length_c [6.2064]
_cell_angle_alpha [90.0000]
_cel... |
mp-1018682 | DyZnGa | data_[Dy2Zn2Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4176]
_cell_length_b [4.4176]
_cell_length_c [7.1748]... |
mp-20376 | Ce(BO2)3 | data_[Ce4B12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9830]
_cell_length_b [8.1981]
_cell_length_c [6.5339]
_cell... |
mp-1105562 | Pr(Co2B)6 | data_[Pr3Co36B18]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4293]
_cell_length_b [9.4293]
_cell_length_c [7.4552]
_ce... |
mp-1183556 | CaYCd2 | data_[Ca4Y4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5716]
_cell_length_b [7.5716]
_cell_length_c [7.5716]
_cel... |
mp-1211198 | Li3SiO4 | data_[Li12Si4O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.4503]
_cell_length_b [7.4740]
_cell_length_c [6.2549]
_ce... |
mp-865185 | Mg(BeAs)2 | data_[Mg1Be2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Be 1.5700 1.0500 0.5900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7964]
_cell_length_b [3.7964]
_cell_length_c [6.4639]
_c... |
mp-752704 | Li5V(SiO4)2 | data_[Li10V2Si4O16]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.3751]
_cell_length_b [7.5601]... |
mp-762326 | Li2CuF5 | data_[Li4Cu2F10]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0221]
_cell_length_b [5.6313]
_cell_length_c [7.4939]
_cell... |
mp-1080568 | PrNiSb2 | data_[Pr2Ni2Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4312]
_cell_length_b [4.4312]
_cell_length_c [9.7975]
_... |
mp-753337 | Li2VNiO4 | data_[Li8V4Ni4O16]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.9359]
_cell_length_b [5.9659... |
mp-10175 | KCdF3 | data_[K1Cd1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4713]
_cell_length_b [4.4713]
_cell_length_c [4.4713]
_cell_... |
mp-1236 | NdAg | data_[Nd1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7631]
_cell_length_b [3.7631]
_cell_length_c [3.7631]
_cell_angle_alpha [90.0000]
_cell_... |
mp-997004 | CaAgO2 | data_[Ca4Ag4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.9349]
_cell_length_b [9.2255]
_cell_length_c [3.4586]
_cell... |
mp-1104259 | V2CuS4 | data_[V8Cu4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.9831]
_cell_length_b [6.9831]
_cell_length_c [9.8227]
_cell... |
mp-1070599 | CsYbCl3 | data_[Cs1Yb1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Yb 1.1000 1.7500 1.0840
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.4257]
_cell_length_b [5.4257]
_cell_length_c [5.4257]
_c... |
mp-22511 | Ce2MgGe2 | data_[Ce4Mg2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4377]
_cell_length_b [7.4377]
_cell_length_c [4.3590]
_... |
mp-1301487 | Mg2MnWO6 | data_[Mg4Mn2W2O12]
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
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 [5.2695]
_cell_length_b [5.39... |
mp-1185436 | Lu2GaRu | data_[Lu8Ga4Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8288]
_cell_length_b [6.8288]
_cell_length_c [6.8288]
_c... |
mp-19862 | EuSi2 | data_[Eu1Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.1159]
_cell_length_b [4.1159]
_cell_length_c [4.2272]
_cell_angle_alpha [90.0000]
_cell... |
mp-7249 | Ba3Nb2ZnO9 | data_[Ba3Nb2Zn1O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8714]
_cell_length_b [5.87... |
mp-27421 | RbBiF6 | data_[Rb3Bi3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
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 [8.0320]
_cell_length_b [8.0320]
_cell_length_c [8.1603]
_cell... |
mp-977463 | MgMnRh2 | data_[Mg4Mn4Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1498]
_cell_length_b [6.1498]
_cell_length_c [6.1498]
_c... |
mp-1013548 | Ca3SbN | data_[Ca3Sb1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8742]
_cell_length_b [4.8742]
_cell_length_c [4.8742]
_cel... |
mp-29641 | GeSb4Te7 | data_[Ge1Sb4Te7]
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 [P-3m1]
_cell_length_a [4.3242]
_cell_length_b [4.3242]
_cell_length_c [24.3022]
_... |
mp-997084 | RbAgO2 | data_[Rb1Ag1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.1070]
_cell_length_b [3.9440]
_cell_length_c [6.0615]
_cell... |
mp-12602 | PrZn5 | data_[Pr1Zn5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4194]
_cell_length_b [5.4194]
_cell_length_c [4.2755]
_cell_angle_alpha [90.0000]
_cell... |
mp-1222363 | LiLa4AlO8 | data_[Li2La8Al2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3825]
_cell_length_b [12.6... |
mp-2657 | TiO2 | data_[Ti2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.6533]
_cell_length_b [4.6533]
_cell_length_c [2.9692]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217118 | Ti3(TeSe)2 | data_[Ti6Te4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8482]
_cell_length_b [3.6873]
_cell_length_c [6.8315]
_c... |
mp-38971 | Eu(YS2)2 | data_[Eu4Y8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Y 1.2200 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.4734]
_cell_length_b [8.4734]
_cell_length_c [8.4112]
_cell... |
mp-862760 | PrCdAg2 | data_[Pr4Cd4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1995]
_cell_length_b [7.1995]
_cell_length_c [7.1995]
_c... |
mp-27840 | Cr3Se4 | data_[Cr6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3396]
_cell_length_b [3.6796]
_cell_length_c [6.4346]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215708 | YUSb2 | data_[Y3U3Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
U 1.3800 1.7500 0.9913
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3417]
_cell_length_b [4.3417]
_cell_length_c [22.0163]
_cell_... |
mp-753827 | Li3Mn4CuO8 | data_[Li6Mn8Cu2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2864]
_cell_length_b [6.1... |
mp-20954 | DyTiSi | data_[Dy2Ti2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0369]
_cell_length_b [4.0369]
_cell_length_c [7.5644]
_... |
mp-989526 | Cs2KTlF6 | data_[Cs8K4Tl4F24]
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
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.5671]
_cell_length_b [9.567... |
mp-1174105 | Li4MnCo3O8 | data_[Li4Mn1Co3O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0148]
_cell_length_b [5.0948... |
mp-20630 | Ho(MnSn)6 | data_[Ho1Mn6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4554]
_cell_length_b [5.4554]
_cell_length_c [8.9932]
_... |
mp-981512 | YbLuPt2 | data_[Yb4Lu4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Lu 1.2700 1.7500 1.0010
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8422]
_cell_length_b [6.8422]
_cell_length_c [6.8422]
_c... |
mp-1176621 | LiMnF4 | data_[Li2Mn2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.3823]
_cell_length_b [6.7012]
_cell_length_c [3.1876]
_cell... |
mp-1186716 | Pr3Hg | data_[Pr6Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8633]
_cell_length_b [4.8633]
_cell_length_c [10.4916]
_cell_angle_alpha [90.0000]
_cel... |
mp-625403 | Nd(HO)3 | data_[Nd2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5224]
_cell_length_b [3.7094]
_cell_length_c [6.5457]
_cell... |
mp-24412 | K2NaAlH6 | data_[K8Na4Al4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1268]
_cell_length_b [8.126... |
mp-1218720 | Sr2Pr2MnCuO8 | data_[Sr2Pr2Mn1Cu1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_lengt... |
mp-1185333 | LiAu3 | data_[Li2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6777]
_cell_length_b [5.6777]
_cell_length_c [4.8819]
_cell_angle_alpha [90.0000]
_ce... |
mp-754401 | Al2O3 | data_[Al8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.7287]
_cell_length_b [5.5403]
_cell_length_c [4.9687]
_cell_angle_alpha [90.0000]
_cell_... |
mp-780415 | NaEuO2 | data_[Na3Eu3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5193]
_cell_length_b [3.5193]
_cell_length_c [16.6821]
_cel... |
mp-18993 | LuVO4 | data_[Lu4V4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.0694]
_cell_length_b [7.0694]
_cell_length_c [6.2797]
_c... |
mp-866052 | Gd2PdRu | data_[Gd8Pd4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pd 2.2000 1.4000 0.8462
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9768]
_cell_length_b [6.9768]
_cell_length_c [6.9768]
_c... |
mp-865224 | Th2BiTe | data_[Th8Bi4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7941]
_cell_length_b [7.7941]
_cell_length_c [7.7941]
_c... |
mp-27986 | Np(OF)2 | data_[Np3O6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2251]
_cell_length_b [4.2251]
_cell_length_c [16.6572]
_cell_... |
mp-1214598 | Ba2NdDyTi2Cu2O11 | data_[Ba2Nd1Dy1Ti2Cu2O11]
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
Dy 1.2200 1.7500 1.1310
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_gr... |
mp-1103017 | NiBiSe | data_[Ni4Bi4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.2374]
_cell_length_b [6.2374]
_cell_length_c [6.2374]
_c... |
mp-1079513 | K2As2Pt | data_[K8As8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5437]
_cell_length_b [14.1975]
_cell_length_c [6.3269]
_cel... |
mp-757147 | Na2FeO3 | data_[Na8Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.9712]
_cell_length_b [6.2956]
_cell_length_c [6.3199]
_cel... |
mp-1188684 | Tb6RuBr10 | data_[Tb6Ru1Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ru 2.2000 1.3000 0.6610
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3821]
_cell_length_b [9.2349]
_cell_length_c [9.2834]
_ce... |
mp-1078200 | V2CoSe4 | data_[V4Co2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7838]
_cell_length_b [3.3953]
_cell_length_c [6.1482]
_cel... |
mp-1218436 | SrAlSi5N7O2 | data_[Sr1Al1Si5N7O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4... |
mp-1189947 | Lu3Os | data_[Lu12Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2896]
_cell_length_b [8.8481]
_cell_length_c [6.1608]
_cell_angle_alpha [90.0000]
_cell_... |
mp-775434 | CrBiO4 | data_[Cr4Bi4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.3910]
_cell_length_b [7.3910]
_cell_length_c [6.4578]
... |
mvc-5988 | Ca2MoWO6 | data_[Ca2Mo1W1O6]
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 [P-1]
_cell_length_a [5.6057]
_cell_length_b [5.6275]
... |
mp-1188193 | TlBr3 | data_[Tl4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.8274]
_cell_length_b [10.9248]
_cell_length_c [6.8162]
_cell_angle_alpha [90.0000]
_cel... |
mp-1215462 | ZnCu | data_[Zn2Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.9761]
_cell_length_b [4.2426]
_cell_length_c [4.1407]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-5496 | Al5C3N | data_[Al10C6N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3457]
_cell_length_b [3.3457]
_cell_length_c [20.9715]
_... |
mp-22816 | TbGeRh | data_[Tb4Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9571]
_cell_length_b [4.3345]
_cell_length_c [7.5679]
_ce... |
mp-1009654 | CaGe2 | data_[Ca1Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0664]
_cell_length_b [4.0664]
_cell_length_c [4.9707]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1206514 | Mg3AsN | data_[Mg3As1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2431]
_cell_length_b [4.2431]
_cell_length_c [4.2431]
_cel... |
mvc-5785 | Ca2CrIrO6 | data_[Ca4Cr2Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cr 1.6600 1.4000 0.9400
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3860]
_cell_length_b [5.... |
mp-1079634 | Tb2SnAu2 | data_[Tb4Sn2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.9100]
_cell_length_b [7.9100]
_cell_length_c [3.8508]
_... |
mp-1213993 | CaAs2F12 | data_[Ca1As2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.3761]
_cell_length_b [5.3761]
_cell_length_c [7.7859]
_ce... |
mp-22142 | SiSe2 | data_[Si4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.0257]
_cell_length_b [9.0257]
_cell_length_c [5.9232]
_cell_angle_alpha [90.0000]
_cell... |
mp-1111657 | K2LiTmCl6 | data_[K8Li4Tm4Cl24]
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
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3208]
_cell_length_b [10... |
mp-12004 | Er2Al3Si2 | data_[Er4Al6Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1404]
_cell_length_b [4.0095]
_cell_length_c [6.6011]
_c... |
mp-1078908 | Ca2CdP2 | data_[Ca8Cd4P8]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2127]
_cell_length_b [16.1258]
_cell_length_c [7.0880]
_c... |
mp-1223117 | La8Te3SeO8 | data_[La8Te3Se1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
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 [P4/mmm]
_cell_length_a [4.1122]
_cell_length_b [4.1... |
mp-1079968 | UGaFe | data_[U3Ga3Fe3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.5627]
_cell_length_b [6.5627]
_cell_length_c [3.9689]
_cel... |
mp-1226940 | Cd2TeSe | data_[Cd6Te3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5419]
_cell_length_b [4.5419]
_cell_length_c [22.1935]
_ce... |
mp-1080153 | MoW(SeS)2 | data_[Mo2W2Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2570]
_cell_length_b [3.2570]... |
mp-1215439 | ZnGaPSe | 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... |
mp-555565 | Ag5(PbO3)2 | data_[Ag5Pb2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [6.0659]
_cell_length_b [6.0659]
_cell_length_c [6.5293]
_cell... |
mp-1101382 | ScCrO4 | data_[Sc4Cr4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.7694]
_cell_length_b [6.9714]
_cell_length_c [6.1428]
_cel... |
mp-1208943 | ScCo2Ge | data_[Sc4Co8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9666]
_cell_length_b [5.9666]
_cell_length_c [5.9666]
_c... |
mp-1218740 | Sr2NbCoO6 | data_[Sr8Nb4Co4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0129]
_cell_length_b [8.0... |
mp-356 | Nd2Co17 | data_[Nd6Co51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3845]
_cell_length_b [8.3845]
_cell_length_c [12.1909]
_cell_angle_alpha [90.0000]
_cell... |
mp-676410 | LuAgS2 | data_[Lu4Ag4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [5.3701]
_cell_length_b [11.8371]
_cell_length_c [5.3721]
_cel... |
mp-1218062 | Ta3WS8 | data_[Ta6W2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.3083]
_cell_length_b [26.0502]
_cell_length_c [5.7400]
_cell... |
mp-1113552 | Rb2HgSbBr6 | data_[Rb8Hg4Sb4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5796]
_cell_length_b [... |
mp-7396 | Li3Tl | data_[Li12Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6840]
_cell_length_b [6.6840]
_cell_length_c [6.6840]
_cell_angle_alpha [90.0000]
_cell... |
mp-1105528 | Pr5As2ClO10 | data_[Pr10As4Cl2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6354]
_cell_length_b [5.... |
mp-558217 | CsAg(NO3)2 | data_[Cs4Ag4N8O24]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8480]
_cell_length_b [5.761... |
mp-998212 | RbAgBr3 | data_[Rb8Ag8Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7028]
_cell_length_b [7.7031]
_cell_length_c [5.4472]
_cel... |
mp-31202 | Pr(SiAu)2 | data_[Pr2Si4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
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 [4.3726]
_cell_length_b [4.3726]
_cell_length_c [10.2654]
... |
mp-1078516 | BaCrS2 | data_[Ba2Cr2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6337]
_cell_length_b [4.6337]
_cell_length_c [9.1999]
_ce... |
mp-640372 | Dy5NiPb3 | data_[Dy10Ni2Pb6]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.1765]
_cell_length_b [9.1765]
_cell_length_c [6.7196... |
mvc-14653 | Mg2VSbO6 | data_[Mg4V2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2278]
_cell_length_b [7.63... |
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