Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-3128 | ErCoSi2 | data_[Er4Co4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9976]
_cell_length_b [16.2384]
_cell_length_c [3.9647]
_c... |
mp-569280 | Y4Si5Rh9 | data_[Y12Si15Rh27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5413]
_cell_length_b [5.5413]
_cell_length_c [33.8626]
_... |
mp-1208453 | Tb3Pt | data_[Tb12Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0695]
_cell_length_b [9.6794]
_cell_length_c [6.5076]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22620 | CeZnSbO | data_[Ce2Zn2Sb2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1577]
_cell_length_b [4.1... |
mp-867179 | SrCdHg2 | data_[Sr4Cd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5998]
_cell_length_b [7.5998]
_cell_length_c [7.5998]
_c... |
mp-1206355 | CeCO | data_[Ce4C4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8511]
_cell_length_b [3.8758]
_cell_length_c [6.8340]
_cell_a... |
mp-6356 | Cd2GaAgS4 | data_[Cd4Ga2Ag2S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.2511]
_cell_length_b [7.0... |
mp-1220607 | Nd(Fe5W)2 | data_[Nd2Fe20W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6939]
_cell_length_b [8.6414]
_cell_length_c [8.7544]
_cel... |
mp-1105187 | CuPS3 | data_[Cu4P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.3142]
_cell_length_b [5.3142]
_cell_length_c [15.1767]
_... |
mp-1106073 | BiH(SeO3)2 | data_[Bi4H4Se8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.7146]
_cell_length_b [7.2671]
... |
mp-1227658 | BaSr3Ag4 | data_[Ba1Sr3Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.4513]
_cell_length_b [4.9200]
_cell_length_c [8.3707]
_cell... |
mvc-16742 | Li(MnS2)2 | data_[Li8Mn16S32]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.8651]
_cell_length_b [9.8651]
_cell_length_c [9.8651]
_c... |
mp-866101 | AcCrO3 | data_[Ac1Cr1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9893]
_cell_length_b [3.9893]
_cell_length_c [3.9893]
_cel... |
mp-754359 | Y6TeO12 | data_[Y18Te3O36]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8860]
_cell_length_b [9.8860]
_cell_length_c [9.4310]
_cell_... |
mp-540701 | V3As2 | data_[V12As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [9.4393]
_cell_length_b [9.4393]
_cell_length_c [3.2967]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-7785 | CsCu4S3 | data_[Cs1Cu4S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9694]
_cell_length_b [3.9694]
_cell_length_c [9.6894]
_ce... |
mp-774702 | Li3BiO4 | data_[Li6Bi2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.3224]
_cell_length_b [6.3117]
_cell_length_c [5.3963]
_cell... |
mp-755045 | Li(NiO2)2 | data_[Li1Ni2O4]
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 [P-1]
_cell_length_a [2.8461]
_cell_length_b [4.9165]
_cell_length_c [5.1353]
_cell_... |
mp-1207185 | LuBiPd | data_[Lu4Bi4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6570]
_cell_length_b [6.6570]
_cell_length_c [6.6570]
_c... |
mp-9036 | KSmTe2 | data_[K3Sm3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sm 1.1700 1.8500 1.2290
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5756]
_cell_length_b [4.5756]
_cell_length_c [24.7915]
_cel... |
mp-1025715 | Te2Mo(WS2)2 | data_[Te2Mo1W2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2956]
_cell_length_b [3.2956... |
mp-20506 | NbNiTe2 | data_[Nb4Ni4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [8.0243]
_cell_length_b [7.4811]
_cell_length_c [6.3063]
_ce... |
mp-1018024 | MnFeCoGe | data_[Mn4Fe4Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7194]
_cell_length_b [5.... |
mp-1205827 | CrAsPd | data_[Cr3As3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6957]
_cell_length_b [6.6957]
_cell_length_c [3.6688]
_c... |
mp-1222164 | Mg4HgAu | data_[Mg8Hg2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6498]
_cell_length_b [8.7424]
_cell_length_c [6.0091]
_... |
mp-1187289 | Sr3Eu | data_[Sr6Eu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.9751]
_cell_length_b [5.9751]
_cell_length_c [11.8982]
_cell_angle_alpha [90.0000]
_cel... |
mp-22486 | Tb(MnGe)2 | data_[Tb2Mn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9481]
_cell_length_b [3.9481]
_cell_length_c [10.8723]
... |
mp-20482 | EuAgP | data_[Eu2Ag2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4080]
_cell_length_b [4.4080]
_cell_length_c [8.0425]
_... |
mp-861605 | AcH3 | data_[Ac4H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8059]
_cell_length_b [5.8059]
_cell_length_c [5.8059]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1216098 | Y4MgS7 | data_[Y8Mg2S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6171]
_cell_length_b [3.8108]
_cell_length_c [11.4993]
_cell_... |
mp-1219298 | ScMn2O4 | data_[Sc4Mn8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.0120]
_cell_length_b [6.2377]
_cell_length_c [9.1434]
_cel... |
mp-1205667 | Tl3FeF6 | data_[Tl12Fe4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2249]
_cell_length_b [9.2249]
_cell_length_c [9.2249]
_c... |
mp-706531 | Ge3Ru2 | data_[Ge12Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-4c2]
_cell_length_a [5.7869]
_cell_length_b [5.7869]
_cell_length_c [9.3546]
_cell_angle_alpha [90.0000]
_cell... |
mp-754243 | Cr4OF11 | data_[Cr8O2F22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.3572]
_cell_length_b [5.0989]
_cell_length_c [8.7445]
_cell_an... |
mp-979426 | YHoRu2 | data_[Y4Ho4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8050]
_cell_length_b [6.8050]
_cell_length_c [6.8050]
_cel... |
mp-1212660 | GaCuBr4 | data_[Ga2Cu2Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-42c]
_cell_length_a [5.9293]
_cell_length_b [5.9293]
_cell_length_c [10.8714]
_... |
mp-20370 | UCuPO | data_[U2Cu2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
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 [P4/nmm]
_cell_length_a [3.7523]
_cell_length_b [3.7523]... |
mp-1188030 | Zr3Cd | data_[Zr6Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4263]
_cell_length_b [4.4263]
_cell_length_c [9.1624]
_cell_angle_alpha [90.0000]
_cell... |
mp-510574 | USb2Au | data_[U2Sb4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4137]
_cell_length_b [4.4137]
_cell_length_c [9.8904]
_ce... |
mp-1226628 | CeMnAl | data_[Ce4Mn4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.4774]
_cell_length_b [5.5118]
_cell_length_c [7.5476]
_ce... |
mp-1217467 | TbLu | data_[Tb1Lu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5621]
_cell_length_b [3.5621]
_cell_length_c [5.6678]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1222856 | LaGe2PdRh | data_[La2Ge4Pd2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3252]
_cell_length_b [4... |
mp-7108 | Tm(SiPt)2 | data_[Tm2Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1800]
_cell_length_b [4.1800]
_cell_length_c [9.7952]
_... |
mp-3104 | BaZrN2 | data_[Ba2Zr2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2043]
_cell_length_b [4.2043]
_cell_length_c [8.4869]
_ce... |
mp-1105431 | Mn7PbO12 | data_[Mn14Pb2O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.5693]
_cell_length_b [7.5693]
_cell_length_c [7.5693]
_ce... |
mp-20056 | MgPb2WO6 | data_[Mg4Pb8W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pb 2.3300 1.8000 1.1225
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0851]
_cell_length_b [8.085... |
mp-557964 | Li9S3N | data_[Li9S3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5161]
_cell_length_b [5.5161]
_cell_length_c [5.5161]
_cell_... |
mp-1187591 | Ti3N2 | data_[Ti18N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.1978]
_cell_length_b [5.1978]
_cell_length_c [14.4654]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865858 | PaAu3 | data_[Pa4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9420]
_cell_length_b [6.9420]
_cell_length_c [6.9420]
_cell_angle_alpha [90.0000]
_cell... |
mp-1205419 | SrSnS3 | data_[Sr4Sn4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4087]
_cell_length_b [3.9063]
_cell_length_c [14.2391]
_ce... |
mp-1174089 | Li5Mn(CoO4)2 | data_[Li5Mn1Co2O8]
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 [4.9533]
_cell_length_b [5.1198... |
mvc-14229 | MgMnF5 | data_[Mg2Mn4F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2856]
_cell_length_b [5.2998]
_cell_length_c [7.6319]
_cell_... |
mp-754911 | MnOF | data_[Mn6O6F6]
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 [Pm]
_cell_length_a [4.8201]
_cell_length_b [3.0623]
_cell_length_c [14.3261]
_cell_an... |
mp-1226462 | CeYPd6 | data_[Ce1Y1Pd6]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1577]
_cell_length_b [4.1577]
_cell_length_c [8.2369]
_ce... |
mp-12611 | Ca3Ga8 | data_[Ca6Ga16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3155]
_cell_length_b [4.3434]
_cell_length_c [25.8644]
_cell_angle_alpha [90.0000]
_cell... |
mp-1007853 | Fe3Ni | data_[Fe12Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7054]
_cell_length_b [5.7054]
_cell_length_c [5.7054]
_cell_angle_alpha [90.0000]
_cell... |
mp-7502 | K2Sn2O3 | data_[K6Sn6O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
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 [6.1404]
_cell_length_b [6.1404]
_cell_length_c [14.4420]
_cell_... |
mp-30479 | Ca3Pb | data_[Ca3Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0805]
_cell_length_b [5.0805]
_cell_length_c [5.0805]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1218781 | Sr2La2MgTi3O12 | data_[Sr2La2Mg1Ti3O12]
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
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a... |
mp-861926 | KGd2CuSe4 | data_[K4Gd8Cu4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1661]
_cell_length_b [14.2... |
mp-866040 | CaCeHg2 | data_[Ca4Ce4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6417]
_cell_length_b [7.6417]
_cell_length_c [7.6417]
_c... |
mp-1186522 | Pm3Gd | data_[Pm3Gd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Gd 1.2000 1.8000 1.0750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1422]
_cell_length_b [5.1422]
_cell_length_c [5.1422]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1206848 | Cs2TcI6 | data_[Cs8Tc4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tc 1.9000 1.3500 0.7417
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.8437]
_cell_length_b [11.8437]
_cell_length_c [11.8437]
... |
mp-1225687 | CuNi | data_[Cu3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.5008]
_cell_length_b [2.5008]
_cell_length_c [12.2906]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1207139 | KRb2InF6 | data_[K2Rb4In2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.5366]
_cell_length_b [6.5366... |
mp-1018743 | LaNi3Rh2 | data_[La1Ni3Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0773]
_cell_length_b [5.0773]
_cell_length_c [4.2046]
_... |
mp-15778 | MgNiSb | data_[Mg4Ni4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0837]
_cell_length_b [6.0837]
_cell_length_c [6.0837]
_c... |
mp-1174008 | Li3Mn2O5 | data_[Li6Mn4O10]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9741]
_cell_length_b [5.0831]
_cell_length_c [12.6765]
_cel... |
mp-1224104 | HoTiFe11 | data_[Ho2Ti2Fe22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7074]
_cell_length_b [8.4966]
_cell_length_c [8.4830]
_c... |
mp-1079171 | NdNiGe3 | data_[Nd4Ni4Ge12]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1449]
_cell_length_b [21.9101]
_cell_length_c [4.1700]
_... |
mp-16914 | Y2Si5Ni3 | data_[Y8Si20Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.5881]
_cell_length_b [11.1392]
_cell_length_c [5.6590]
_c... |
mp-1072744 | Hf2Bi | data_[Hf8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1177]
_cell_length_b [3.7736]
_cell_length_c [6.6670]
_cell_angle_alpha [90.0000]
_cell_... |
mp-5215 | NdNiGe2 | data_[Nd4Ni4Ge8]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2352]
_cell_length_b [16.7897]
_cell_length_c [4.2526]
_c... |
mp-1224895 | GaFe2Co | data_[Ga4Fe8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7114]
_cell_length_b [5.7114]
_cell_length_c [5.7114]
_c... |
mp-1077 | B2Ru | data_[B4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [2.8831]
_cell_length_b [4.6668]
_cell_length_c [4.0552]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-31457 | ZrSbRu | data_[Zr4Sb4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3544]
_cell_length_b [6.3544]
_cell_length_c [6.3544]
_c... |
mp-1212356 | Ho2CoPtO6 | data_[Ho4Co2Pt2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3300]
_cell_length_b [5.... |
mp-19908 | EuF3 | data_[Eu4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6834]
_cell_length_b [7.1252]
_cell_length_c [4.4697]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1102866 | YbSiPt | data_[Yb4Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0809]
_cell_length_b [4.3595]
_cell_length_c [7.1967]
_ce... |
mp-754315 | Li3V4SnO12 | data_[Li3V4Sn1O12]
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 [P1]
_cell_length_a [5.1390]
_cell_length_b [5.4757]
... |
mp-1206944 | LaMgCu | data_[La3Mg3Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7063]
_cell_length_b [7.7063]
_cell_length_c [4.1654]
_c... |
mp-1017554 | CdNi3N | data_[Cd1Ni3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8498]
_cell_length_b [3.8498]
_cell_length_c [3.8498]
_cel... |
mp-3717 | LuBRh3 | data_[Lu1B1Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1762]
_cell_length_b [4.1762]
_cell_length_c [4.1762]
_cel... |
mp-1221751 | MnFeSn4 | data_[Mn2Fe2Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [6.5100]
_cell_length_b [6.5100]
_cell_length_c [5.3078]
_ce... |
mp-1215998 | Yb(CuTe)3 | data_[Yb6Cu18Te18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.4296]
_cell_length_b [7.4296]
_cell_length_c [21.8110]
_... |
mp-504613 | Ce3(Si4Ni)2 | data_[Ce6Si16Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0933]
_cell_length_b [26.0164]
_cell_length_c [4.1937]
_... |
mp-1097010 | CuPbO2 | data_[Cu4Pb4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.4117]
_cell_length_b [8.7347]
_cell_length_c [4.8854]
_cell... |
mp-32868 | Ag2S | data_[Ag6S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4355]
_cell_length_b [4.6200]
_cell_length_c [9.8055]
_cell_angle_alpha [99.7844]
_cell_angle... |
mp-1120739 | CaCl2 | data_[Ca4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7445]
_cell_length_b [6.7445]
_cell_length_c [6.7445]
_cell_angle_alpha [90.0000]
_cell_... |
mp-567644 | RbCu2Br3 | data_[Rb4Cu8Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.3106]
_cell_length_b [12.9814]
_cell_length_c [5.2479]
... |
mp-1104669 | Ca5Pd2 | data_[Ca20Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6668]
_cell_length_b [6.6618]
_cell_length_c [7.6805]
_cell_angle_alpha [90.0000]
_cell... |
mp-30469 | TlBi2 | data_[Tl1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.7139]
_cell_length_b [5.7139]
_cell_length_c [3.4477]
_cell_angle_alpha [90.0000]
_cell... |
mp-862906 | PmGaCu2 | data_[Pm4Ga4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5746]
_cell_length_b [6.5746]
_cell_length_c [6.5746]
_c... |
mp-1213158 | Er5(SiSb)2 | data_[Er20Si8Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.9999]
_cell_length_b [7.7790]
_cell_length_c [7.7976]
_... |
mp-1216884 | U2Ni3As4 | data_[U2Ni3As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0892]
_cell_length_b [4.0892]
_cell_length_c [9.2016]
_cell... |
mp-5488 | LiInO2 | data_[Li4In4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.3840]
_cell_length_b [4.3840]
_cell_length_c [9.4904]
_... |
mp-1207234 | Yb2GaNi2 | data_[Yb4Ga2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0953]
_cell_length_b [5.2566]
_cell_length_c [8.5398]
_ce... |
mp-604318 | K | data_[K4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7055]
_cell_length_b [4.7055]
_cell_length_c [15.2801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... |
mp-1019742 | HeSiO2 | data_[He12Si12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
He 4.16 1.4 0.0000
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.1911]
_cell_length_b [5.1911]
_cell_length_c [25.9300]
_cell_... |
mp-756191 | Mn5CuO12 | data_[Mn10Cu2O24]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0690]
_cell_length_b [8.8082]
_cell_length_c [9.6663]
_ce... |
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