Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-753177 | Li2MnCo3O8 | data_[Li6Mn3Co9O24]
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 [R-3m]
_cell_length_a [5.8181]
_cell_length_b [5.81... |
mp-9912 | Li2CeP2 | data_[Li2Ce1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1568]
_cell_length_b [4.1568]
_cell_length_c [6.6365]
_cel... |
mp-542816 | Zr5SiSb3 | data_[Zr10Si2Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.6822]
_cell_length_b [8.6822]
_cell_length_c [5.8369... |
mp-862756 | PrGa3 | data_[Pr2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.5170]
_cell_length_b [6.5170]
_cell_length_c [4.6229]
_cell_angle_alpha [90.0000]
_ce... |
mp-556560 | MnF3 | data_[Mn4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1639]
_cell_length_b [5.4898]
_cell_length_c [5.4680]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-22017 | LaIn2Ir | data_[La4In8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4757]
_cell_length_b [10.3662]
_cell_length_c [8.1965]
_c... |
mp-1018129 | Pt2W | data_[Pt4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8067]
_cell_length_b [3.9685]
_cell_length_c [8.3700]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-7590 | GeP | data_[Ge2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5652]
_cell_length_b [3.5652]
_cell_length_c [5.7414]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-6847 | KY2Ti2S2O5 | data_[K1Y2Ti2S2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3... |
mp-862615 | Er2NiRu | data_[Er8Ni4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7256]
_cell_length_b [6.7256]
_cell_length_c [6.7256]
_c... |
mp-19319 | ErMnO3 | data_[Er4Mn4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8440]
_cell_length_b [7.4558]
_cell_length_c [5.2936]
_cel... |
mp-1386 | HoPb3 | data_[Ho1Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8893]
_cell_length_b [4.8893]
_cell_length_c [4.8893]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1103943 | ErGa3Ru | data_[Er3Ga9Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.4051]
_cell_length_b [6.4051]
_cell_length_c [6.4051]
_c... |
mp-1225557 | La4GaSi3 | data_[La4Ga1Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0554]
_cell_length_b [4.5319]
_cell_length_c [11.4103]
_c... |
mp-1106066 | La(Sb3Os)4 | data_[La2Sb24Os8]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.4333]
_cell_length_b [9.4333]
_cell_length_c [9.4333]
_c... |
mp-557359 | Cs2Al2Sb2O7 | data_[Cs2Al2Sb2O7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Al 1.6100 1.2500 0.6750
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7879]
_cell_length_b [5.78... |
mp-1183148 | AlGaCo2 | data_[Al4Ga4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7388]
_cell_length_b [5.7388]
_cell_length_c [5.7388]
_c... |
mp-19164 | BaDy2CoO5 | data_[Ba2Dy4Co2O10]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7795]
_cell_length_b [5.83... |
mp-1272384 | Co2PO5 | data_[Co8P4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5958]
_cell_length_b [7.6215]
_cell_length_c [7.0665]
_cell_... |
mp-1205454 | Hf2InNi2 | data_[Hf4In2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1727]
_cell_length_b [7.1727]
_cell_length_c [3.3266]
_... |
mp-1206031 | Dy2CoGe6 | data_[Dy4Co2Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0658]
_cell_length_b [4.0030]
_cell_length_c [21.4047]
_... |
mp-1077088 | PrCdNi4 | data_[Pr4Cd4Ni16]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1658]
_cell_length_b [7.1658]
_cell_length_c [7.1658]
_... |
mp-1225642 | Eu2Al6Si3Au2 | data_[Eu4Al12Si6Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.4071]
_cell_length_b [4.... |
mp-18794 | Sm2TiMnO6 | data_[Sm4Ti2Mn2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4690]
_cell_length_b [5.... |
mp-1225771 | Cu3PdAu4 | data_[Cu3Pd1Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9030]
_cell_length_b [2.9030]
_cell_length_c [14.6805]
... |
mp-1226800 | CeCuNi | data_[Ce4Cu4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2056]
_cell_length_b [4.1288]
_cell_length_c [6.6884]
_ce... |
mp-15788 | LiYS2 | data_[Li3Y3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9154]
_cell_length_b [3.9154]
_cell_length_c [18.5545]
_cell_... |
mp-8872 | RbNa2BO3 | data_[Rb2Na4B2O6]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7404]
_cell_length_b [6.1991]... |
mp-1095497 | YIr3 | data_[Y9Ir27]
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 [R-3m]
_cell_length_a [5.3329]
_cell_length_b [5.3329]
_cell_length_c [26.2301]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-7331 | Cs2MgFe(CN)6 | data_[Cs8Mg4Fe4C24N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length... |
mp-1178026 | Li2Co3TeO8 | data_[Li2Co3Te1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9741]
_cell_length_b [6.0259... |
mp-975028 | Rb3Cd | data_[Rb12Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0020]
_cell_length_b [10.0020]
_cell_length_c [10.0020]
_cell_angle_alpha [90.0000]
_c... |
mp-1986 | ZnO | data_[Zn4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [4.6305]
_cell_length_b [4.6305]
_cell_length_c [4.6305]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-409 | NaS | data_[Na6S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6850]
_cell_length_b [7.6850]
_cell_length_c [5.3910]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1218439 | Sr4TlCu2BiO10 | data_[Sr8Tl2Cu4Bi2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_leng... |
mp-1298283 | CaMn4(CuO4)3 | data_[Ca2Mn8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
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 [10.4751]
_cell_length_b [7.2... |
mp-1217113 | Ti3Ir2 | data_[Ti6Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1096]
_cell_length_b [3.1096]
_cell_length_c [15.9687]
_cell_angle_alpha [90.0000]
_cel... |
mp-2288 | PuSe | data_[Pu4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8831]
_cell_length_b [5.8831]
_cell_length_c [5.8831]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1224970 | Gd(ZnGa)2 | data_[Gd2Zn4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2007]
_cell_length_b [4.2007]
_cell_length_c [10.6229]
... |
mp-1212340 | Ho2MnNiO6 | data_[Ho4Mn2Ni2O12]
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
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 [5.2596]
_cell_length_b [5.... |
mp-1187701 | Y2AgHg | data_[Y8Ag4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3786]
_cell_length_b [7.3786]
_cell_length_c [7.3786]
_cel... |
mp-35031 | Pr5CuSe8 | data_[Pr10Cu2Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.8569]
_cell_length_b [8.8569]
_cell_length_c [9.1452]
_c... |
mp-18725 | YCrO3 | data_[Y4Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6147]
_cell_length_b [7.6674]
_cell_length_c [5.3173]
_cell_... |
mp-27533 | P2Pd15 | data_[P6Pd45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.2259]
_cell_length_b [7.2259]
_cell_length_c [17.3777]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1099096 | CeMg14Cd | data_[Ce2Mg28Cd2]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.3014]
_cell_length_b [6.4540]
_cell_length_c [11.2293]
... |
mp-29842 | CsReF8 | data_[Cs2Re2F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Re 1.9000 1.3500 0.7125
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [8.0105]
_cell_length_b [8.0105]
_cell_length_c [5.3195]
_c... |
mp-759883 | BiOF | data_[Bi6O6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
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 [4.0013]
_cell_length_b [4.0013]
_cell_length_c [20.4745]
_cell_... |
mp-1106120 | Sr5Tl3 | data_[Sr20Tl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.9917]
_cell_length_b [8.9917]
_cell_length_c [15.8166]
_cell_angle_alpha [90.0000]
_c... |
mp-1186605 | PmLu3 | data_[Pm2Lu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1462]
_cell_length_b [7.1462]
_cell_length_c [5.6139]
_cell_angle_alpha [90.0000]
_ce... |
mp-1208303 | TbCdPd | data_[Tb3Cd3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6656]
_cell_length_b [7.6656]
_cell_length_c [3.9222]
_c... |
mp-1069443 | CeAl3Cu | data_[Ce2Al6Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2488]
_cell_length_b [4.2488]
_cell_length_c [10.5255]
_c... |
mp-1518433 | Sr2HfVO6 | data_[Sr8Hf4V4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0375]
_cell_length_b [8.037... |
mp-1106330 | Pr2Co7 | data_[Pr12Co42]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0504]
_cell_length_b [5.0504]
_cell_length_c [36.9356]
_cell_angle_alpha [90.0000]
_cel... |
mp-8015 | CsRuF6 | data_[Cs3Ru3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1607]
_cell_length_b [8.1607]
_cell_length_c [8.2125]
_cel... |
mp-20437 | Sr2SmCu3(PbO4)2 | data_[Sr2Sm1Cu3Pb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
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 [P4/mmm]
_cell_lengt... |
mp-14651 | Zr2AgPdF11 | data_[Zr4Ag2Pd2F22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5676]
_cell_length_b [7.10... |
mp-867703 | VOF | data_[V6O6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
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 [3.3349]
_cell_length_b [3.3349]
_cell_length_c [23.0542]
_cell_an... |
mp-1216310 | VMoAs2 | data_[V2Mo2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.3861]
_cell_length_b [6.3688]
_cell_length_c [5.9209]
_ce... |
mp-759207 | LiSb(TeO4)3 | data_[Li1Sb1Te3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1181]
_cell_length_b [5.3355... |
mp-1215233 | ZrNb3C4 | data_[Zr3Nb9C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2188]
_cell_length_b [3.2188]
_cell_length_c [31.6501]
_ce... |
mp-568437 | Yb2Zn17 | data_[Yb6Zn51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0702]
_cell_length_b [9.0702]
_cell_length_c [13.1408]
_cell_angle_alpha [90.0000]
_cell... |
mp-1207558 | YbGa2Ag | data_[Yb4Ga8Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9869]
_cell_length_b [4.3640]
_cell_length_c [10.4375]
_c... |
mp-554120 | DyCuS2 | data_[Dy4Cu4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [3.9606]
_cell_length_b [6.2577]
_cell_length_c [13.4761... |
mp-1219105 | SmAl3Cu | data_[Sm2Al6Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1868]
_cell_length_b [4.1868]
_cell_length_c [10.6166]
_c... |
mp-754 | Te2Rh | data_[Te8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.5420]
_cell_length_b [6.5420]
_cell_length_c [6.5420]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-556745 | TlCO2 | data_[Tl4C4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8118]
_cell_length_b [6.0062]
_cell_length_c [6.9417]
_cell... |
mp-977351 | Ac2S3 | data_[Ac12S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.6177]
_cell_length_b [7.6177]
_cell_length_c [19.6270]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1071036 | TbScSb | data_[Tb2Sc2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3569]
_cell_length_b [4.3569]
_cell_length_c [8.1894]
_... |
mp-36066 | PNO | data_[P4N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.6246]
_cell_length_b [6.6332]
_cell_length_c [4.6775]
_cell_angle... |
mp-20385 | Nd3InC | data_[Nd3In1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1345]
_cell_length_b [5.1345]
_cell_length_c [5.1345]
_cel... |
mp-1018276 | CeGa | data_[Ce4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4205]
_cell_length_b [11.1332]
_cell_length_c [4.1345]
_cell_angle_alpha [90.0000]
_cell_... |
mp-754760 | Eu(ReO4)2 | data_[Eu1Re2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.3724]
_cell_length_b [6.3724]
_cell_length_c [6.5246]
_cell_... |
mp-571665 | Ho(SiPt)2 | data_[Ho2Si4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
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 [4.1887]
_cell_length_b [4.1887]
_cell_length_c [9.8538]
_... |
mp-1208630 | SrC6 | data_[Sr2C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3336]
_cell_length_b [4.3336]
_cell_length_c [9.9707]
_cell_angle_alpha [90.0000]
_cel... |
mp-1184791 | InRh3 | data_[In2Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6525]
_cell_length_b [5.6525]
_cell_length_c [4.5461]
_cell_angle_alpha [90.0000]
_ce... |
mp-7440 | NaP | data_[Na8P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.6696]
_cell_length_b [6.0644]
_cell_length_c [10.1582]
_cell_angle_alpha [90.0000]
_c... |
mp-1094490 | MgZn | data_[Mg6Zn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8224]
_cell_length_b [8.8452]
_cell_length_c [5.1272]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-23421 | LiYb2Cl5 | data_[Li4Yb8Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Yb 1.1000 1.7500 1.0840
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1622]
_cell_length_b [6.4864]
_cell_length_c [7.0744]
_... |
mp-1105186 | Cu3B5Pt9 | data_[Cu3B5Pt9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.0888]
_cell_length_b [9.0888]
_cell_length_c [2.9969]
_cel... |
mp-571094 | Th7Ir3 | data_[Th14Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.0884]
_cell_length_b [10.0884]
_cell_length_c [6.3121]
_cell_angle_alpha [90.0000]
_c... |
mp-1111252 | K2LiNdCl6 | data_[K8Li4Nd4Cl24]
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
Nd 1.1400 1.8500 1.2765
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5755]
_cell_length_b [10... |
mp-1220768 | NaYF4 | data_[Na3Y3F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0596]
_cell_length_b [7.0214]
_cell_length_c [7.0274]
_cell_an... |
mp-1186276 | Nd3Ho | data_[Nd6Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3173]
_cell_length_b [7.3173]
_cell_length_c [5.9778]
_cell_angle_alpha [90.0000]
_ce... |
mp-7534 | K2Cd2O3 | data_[K4Cd4O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5710]
_cell_length_b [6.7224]
_cell_length_c [6.8993]
_cell... |
mp-1239266 | HfCrAgS4 | data_[Hf4Cr4Ag4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [7.4323]
_cell_length_b... |
mp-1189520 | NaPS3 | data_[Na4P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7397]
_cell_length_b [7.8905]
_cell_length_c [9.1326]
_cel... |
mp-1217677 | Tb2CuAg | data_[Tb2Cu1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5372]
_cell_length_b [3.5372]
_cell_length_c [7.2684]
_... |
mp-1189585 | NdCrTeO6 | data_[Nd2Cr2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.2344]
_cell_length_b [5.2... |
mp-1174821 | Li6Mn3CoO10 | data_[Li6Mn3Co1O10]
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 [P1]
_cell_length_a [2.9322]
_cell_length_b [5.9751... |
mp-979417 | DyYCd2 | data_[Dy4Y4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5074]
_cell_length_b [7.5074]
_cell_length_c [7.5074]
_cel... |
mp-1246089 | Sr4VN4 | data_[Sr8V2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
V 1.6300 1.3500 0.7775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1502]
_cell_length_b [6.4028]
_cell_length_c [9.4109]
_cell_an... |
mp-1185571 | CsAs(HO2)2 | data_[Cs8As8H16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.2595]
_cell_length_b [11.7... |
mp-980757 | Sm5Sb3 | data_[Sm10Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.1922]
_cell_length_b [9.1922]
_cell_length_c [6.4402]
_cell_angle_alpha [90.0000]
_c... |
mp-1184505 | GdPaTc2 | data_[Gd4Pa4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pa 1.5000 1.8000 1.0400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8775]
_cell_length_b [6.8775]
_cell_length_c [6.8775]
_c... |
mp-20998 | LiCaPb | data_[Li3Ca3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.9899]
_cell_length_b [4.9899]
_cell_length_c [10.9849]
_... |
mp-864943 | MnBe2Ir | data_[Mn4Be8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5516]
_cell_length_b [5.5516]
_cell_length_c [5.5516]
_c... |
mp-1185558 | CsK3 | data_[Cs2K6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [9.9522]
_cell_length_b [9.9522]
_cell_length_c [7.8215]
_cell_angle_alpha [90.0000]
_cell... |
mp-1092225 | CeLuS3 | data_[Ce4Lu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Lu 1.2700 1.7500 1.0010
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8627]
_cell_length_b [12.5852]
_cell_length_c [9.4859]
_ce... |
mp-1184932 | In3Pb | data_[In6Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.9345]
_cell_length_b [6.9345]
_cell_length_c [5.5545]
_cell_angle_alpha [90.0000]
_ce... |
mp-570026 | ErAgGe | data_[Er3Ag3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1343]
_cell_length_b [7.1343]
_cell_length_c [4.1980]
_c... |
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