Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1227569 | Ca2LaRuO6 | data_[Ca4La2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6537]
_cell_length_b [5.903... |
mp-1184535 | GdHoIr2 | data_[Gd4Ho4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ho 1.2300 1.7500 1.0410
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8754]
_cell_length_b [6.8754]
_cell_length_c [6.8754]
_c... |
mp-675179 | Ba3Bi2F12 | data_[Ba3Bi2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4043]
_cell_length_b [4.4531]
_cell_length_c [17.8417]
_cell... |
mp-1215621 | YbGeAu | data_[Yb4Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5479]
_cell_length_b [4.5082]
_cell_length_c [7.2293]
_c... |
mp-10785 | RbLuSe2 | data_[Rb3Lu3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Lu 1.2700 1.7500 1.0010
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1675]
_cell_length_b [4.1675]
_cell_length_c [23.9373]
_c... |
mp-13435 | CeMgNi4 | data_[Ce4Mg4Ni16]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0135]
_cell_length_b [7.0135]
_cell_length_c [7.0135]
_... |
mp-1079553 | CeInRh | data_[Ce3In3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5773]
_cell_length_b [7.5773]
_cell_length_c [4.0265]
_c... |
mp-867475 | TaSnRu2 | data_[Ta4Sn4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3866]
_cell_length_b [6.3866]
_cell_length_c [6.3866]
_c... |
mp-1226998 | Ce4Ni3Pt | data_[Ce4Ni3Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7071]
_cell_length_b [4.2914]
_cell_length_c [10.6455]
_c... |
mp-558572 | Na2UF6 | data_[Na4U2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [6.1598]
_cell_length_b [6.1598]
_cell_length_c [7.2558]
_cell_an... |
mp-795 | LiSi | data_[Li16Si16]
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
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [9.3272]
_cell_length_b [9.3272]
_cell_length_c [5.7407]
_cell_angle_alpha [90.0000]
_ce... |
mp-1072982 | GdGe2 | data_[Gd4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.0176]
_cell_length_b [4.0176]
_cell_length_c [16.3949]
_cell_angle_alpha [90.0000]
_c... |
mp-1184339 | Eu2ZnRh | data_[Eu8Zn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2207]
_cell_length_b [7.2207]
_cell_length_c [7.2207]
_c... |
mp-10062 | Ba2NdNb(CuO4)2 | data_[Ba2Nd1Nb1Cu2O8]
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
Nb 1.6000 1.4500 0.8200
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-1221670 | MnCdHgTe3 | data_[Mn2Cd2Hg2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.2799]
_cell_length_b [4.63... |
mp-1223745 | HoMnFe | data_[Ho4Mn4Fe4]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.0566]
_cell_length_b [5.1696]
_cell_length_c [7.2164]
_ce... |
mp-774910 | 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 [5.1178]
_cell_length_b [5.3496... |
mvc-5634 | Ca2CuIrO6 | data_[Ca4Cu2Ir2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
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 [5.4209]
_cell_length_b [5.... |
mp-1221165 | Na4H4PdPt | data_[Na4H4Pd1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6387]
_cell_length_b [3.6... |
mp-1078820 | DyMgAg | data_[Dy3Mg3Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6092]
_cell_length_b [7.6092]
_cell_length_c [4.2733]
_c... |
mp-1275776 | Ca2Mn2O5 | data_[Ca4Mn4O10]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4837]
_cell_length_b [5.6389]
_cell_length_c [8.3860]
_cell_... |
mp-568050 | Ca3SiBr2 | data_[Ca6Si2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3986]
_cell_length_b [5.9206]
_cell_length_c [13.6922]
_c... |
mp-1187948 | Zn3Ni | data_[Zn6Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3235]
_cell_length_b [5.3235]
_cell_length_c [4.2856]
_cell_angle_alpha [90.0000]
_ce... |
mp-999336 | NdPd | data_[Nd4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8690]
_cell_length_b [10.9329]
_cell_length_c [4.6768]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1189141 | Ho5Pt3 | data_[Ho10Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4233]
_cell_length_b [8.4233]
_cell_length_c [6.1516]
_cell_angle_alpha [90.0000]
_c... |
mp-1095196 | HfGeOs | data_[Hf3Ge3Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.7320]
_cell_length_b [6.7320]
_cell_length_c [3.8111]
_c... |
mp-862830 | PaTlAu2 | data_[Pa4Tl4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1137]
_cell_length_b [7.1137]
_cell_length_c [7.1137]
_c... |
mp-1111327 | K3TbCl6 | data_[K12Tb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tb 1.1000 1.7500 0.9815
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2460]
_cell_length_b [11.2460]
_cell_length_c [11.2460]... |
mp-16291 | NaZr2PdF11 | data_[Na2Zr4Pd2F22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
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 [9.4187]
_cell_length_b [6.97... |
mp-1208952 | ScTaN2 | data_[Sc2Ta2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0783]
_cell_length_b [3.0783]
_cell_length_c [10.6296]
... |
mp-1224715 | Fe2(PdAu)3 | data_[Fe2Pd3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9847]
_cell_length_b [3.9886]
_cell_length_c [7.7832]
_ce... |
mp-1226926 | Ce(Co5Mo)2 | data_[Ce2Co20Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6648]
_cell_length_b [8.4631]
_cell_length_c [8.4836]
_c... |
mp-757500 | Li4VFe(WO6)2 | data_[Li4V1Fe1W2O12]
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
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.... |
mp-1232112 | Tb2MgS4 | data_[Tb16Mg8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.2316]
_cell_length_b [11.2316]
_cell_length_c [11.2316]... |
mp-1226534 | CeNdN2 | data_[Ce3Nd3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6092]
_cell_length_b [3.6092]
_cell_length_c [17.6699]
_cel... |
mp-1223961 | InAgTeSe | data_[In4Ag4Te4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [6.4029]
_cell_length_... |
mp-31094 | Tb2FeSi2 | data_[Tb8Fe4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5974]
_cell_length_b [4.1486]
_cell_length_c [10.0240]
_... |
mp-849459 | Li2FeO2F | data_[Li8Fe4O8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.3286]
_cell_length_b [8.7295]
_... |
mp-997007 | AgPtO2 | data_[Ag4Pt4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8129]
_cell_length_b [3.1250]
_cell_length_c [6.5296]
_cel... |
mp-1186512 | Pm3Hg | data_[Pm6Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7890]
_cell_length_b [4.7890]
_cell_length_c [10.3133]
_cell_angle_alpha [90.0000]
_cel... |
mp-1181502 | CsO2 | data_[Cs2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8638]
_cell_length_b [6.7111]
_cell_length_c [4.0601]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1218832 | Sr2EuFeO5 | data_[Sr16Eu8Fe8O40]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.6539]
_cell_length_b [9.6... |
mp-754107 | Y(BiO2)3 | data_[Y6Bi18O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1584]
_cell_length_b [10.1584]
_cell_length_c [11.5464]
_ce... |
mp-1227021 | Ce3UAl8 | data_[Ce9U3Al24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
U 1.3800 1.7500 0.9913
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5671]
_cell_length_b [5.5671]
_cell_length_c [27.3287]
_cel... |
mp-1189015 | Er5Si3C | data_[Er10Si6C2]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.3929]
_cell_length_b [8.3929]
_cell_length_c [6.2847]
... |
mp-1217107 | Ti4CN3 | data_[Ti12C3N9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0210]
_cell_length_b [3.0210]
_cell_length_c [29.6765]
_cell... |
mp-21357 | U2Fe2Sn | data_[U4Fe4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2743]
_cell_length_b [7.2743]
_cell_length_c [3.3555]
_ce... |
mp-21289 | TiZn3 | data_[Ti1Zn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9261]
_cell_length_b [3.9261]
_cell_length_c [3.9261]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186974 | Sc3Tl | data_[Sc6Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4306]
_cell_length_b [6.4306]
_cell_length_c [5.2868]
_cell_angle_alpha [90.0000]
_ce... |
mp-976326 | NaInAg2 | data_[Na4In4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9289]
_cell_length_b [6.9289]
_cell_length_c [6.9289]
_c... |
mp-979962 | AcYbCd2 | data_[Ac4Yb4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9321]
_cell_length_b [7.9321]
_cell_length_c [7.9321]
_c... |
mp-1221363 | Mn5Sb4 | data_[Mn5Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2757]
_cell_length_b [4.2757]
_cell_length_c [10.9575]
_cell_angle_alpha [90.0000]
_cell... |
mp-1221660 | MnAl2Cu | data_[Mn1Al2Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8066]
_cell_length_b [2.8066]
_cell_length_c [6.6831]
_... |
mp-1217726 | Tb2VFeO6 | data_[Tb4V2Fe2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3607]
_cell_length_b [5.67... |
mp-4808 | NdAgSn | data_[Nd2Ag2Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.8227]
_cell_length_b [4.8227]
_cell_length_c [7.6760]
_... |
mp-776264 | LiFeF4 | data_[Li4Fe4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6739]
_cell_length_b [5.2320]
_cell_length_c [5.4682]
_ce... |
mp-1209388 | Sc2InAu2 | data_[Sc8In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.7381]
_cell_length_b [7.7381]
_cell_length_c [6.9160]... |
mp-979950 | AcYbMg2 | data_[Ac4Yb4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Yb 1.1000 1.7500 1.0840
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0949]
_cell_length_b [8.0949]
_cell_length_c [8.0949]
_c... |
mp-1213256 | CsEuCl3 | data_[Cs4Eu4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Eu 1.2000 1.8500 1.1985
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1937]
_cell_length_b [11.1912]
_cell_length_c [7.8813]
_... |
mp-1173964 | Li3Mn2O5 | data_[Li12Mn8O20]
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 [C2/m]
_cell_length_a [24.3263]
_cell_length_b [2.8808]
_cell_length_c [5.2065]
_c... |
mp-11388 | GaIr | data_[Ga1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.0605]
_cell_length_b [3.0605]
_cell_length_c [3.0605]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1207742 | Y2OsC2 | data_[Y8Os4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Os 2.2000 1.3000 0.6730
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4572]
_cell_length_b [5.1434]
_cell_length_c [9.8374]
_cell_a... |
mp-1078519 | LaSb2Pd | data_[La2Sb4Pd2]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5668]
_cell_length_b [4.5668]
_cell_length_c [10.0460]
... |
mp-1183647 | CdAg3 | data_[Cd2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1861]
_cell_length_b [4.1861]
_cell_length_c [8.5247]
_cell_angle_alpha [90.0000]
_cell... |
mp-29779 | Lu3Ni2Ge3 | data_[Lu12Ni8Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1573]
_cell_length_b [10.0903]
_cell_length_c [13.8364]... |
mp-1023942 | Te2W | data_[Te4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5566]
_cell_length_b [3.5566]
_cell_length_c [25.0541]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-28513 | Pb(ClO3)2 | data_[Pb8Cl16O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.8750]
_cell_length_b [12.7297]
_cell_length_c [7.7603]
_... |
mp-1205657 | Gd2MgNi2 | data_[Gd4Mg2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3670]
_cell_length_b [7.3670]
_cell_length_c [3.7980]
_... |
mp-1225300 | Dy2Al3Co | data_[Dy6Al9Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4767]
_cell_length_b [5.4767]
_cell_length_c [13.0506]
_c... |
mp-1105869 | Tm5Pt3 | data_[Tm10Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.3612]
_cell_length_b [8.3612]
_cell_length_c [6.0742]
_cell_angle_alpha [90.0000]
_c... |
mp-1080590 | DyAu3 | data_[Dy2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.0676]
_cell_length_b [6.1791]
_cell_length_c [5.1727]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-10955 | Sn(HgSe2)2 | data_[Sn2Hg4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.9365]
_cell_length_b [5.9365]
_cell_length_c [11.9940]
_ce... |
mp-867236 | Tb2IrPd | data_[Tb8Ir4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9614]
_cell_length_b [6.9614]
_cell_length_c [6.9614]
_c... |
mp-1006058 | UCd2O5 | data_[U4Cd8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5444]
_cell_length_b [5.3811]
_cell_length_c [8.2162]
_cell... |
mp-1094434 | Mg5Zn | data_[Mg10Zn2]
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 [5.0266]
_cell_length_b [3.1541]
_cell_length_c [16.1335]
_cell_angle_alpha [90.0000]
_cell... |
mp-11771 | CoCu2SnSe4 | data_[Co2Cu4Sn2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.7038]
_cell_length_b [5.... |
mp-182 | SrGa2 | data_[Sr1Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.3569]
_cell_length_b [4.3569]
_cell_length_c [4.8240]
_cell_angle_alpha [90.0000]
_cell... |
mp-974943 | HfZrTc2 | data_[Hf4Zr4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5643]
_cell_length_b [6.5643]
_cell_length_c [6.5643]
_c... |
mp-1105830 | Zr2CuH5 | data_[Zr8Cu4H20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8778]
_cell_length_b [3.6499]
_cell_length_c [8.2866]
_ce... |
mp-1213119 | Dy2Cu(SiO3)4 | data_[Dy2Cu1Si4O12]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8238]
_cell_length_b [7.119... |
mp-15065 | Cu(IrS2)2 | data_[Cu8Ir16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.9202]
_cell_length_b [9.9202]
_cell_length_c [9.9202]
_c... |
mp-757010 | Li3Fe(NiO2)4 | data_[Li6Fe2Ni8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
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 [10.1866]
_cell_length_b [5.8... |
mp-1102079 | TmAsS | data_[Tm4As4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.8306]
_cell_length_b [3.7898]
_cell_length_c [3.8009]
_cel... |
mp-777580 | V5O12 | data_[V5O12]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9654]
_cell_length_b [5.3289]
_cell_length_c [7.4963]
_cell_angle_alpha [83.2832]
_cell_angle_... |
mp-1217458 | TbUTe6 | data_[Tb2U2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3888]
_cell_length_b [4.3870]
_cell_length_c [25.4380]
_ce... |
mp-1519374 | Eu2ZrFeO6 | data_[Eu8Zr4Fe4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1170]
_cell_length_b [8.1... |
mp-1095675 | CeAsS | data_[Ce4As4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.0836]
_cell_length_b [3.9510]
_cell_length_c [3.9417]
_cel... |
mp-996953 | CuHO2 | data_[Cu2H2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4857]
_cell_length_b [2.7900]
_cell_length_c [4.4423]
_cell_a... |
mp-1079408 | Li5In4 | data_[Li5In4]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7748]
_cell_length_b [4.7748]
_cell_length_c [8.9755]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1079146 | Th3Si2 | data_[Th6Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8390]
_cell_length_b [7.8390]
_cell_length_c [4.1658]
_cell_angle_alpha [90.0000]
_cell... |
mp-1221807 | Mn3Al2V3 | data_[Mn9Al6V9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1968]
_cell_length_b [4.1968]
_cell_length_c [20.5354]
_cell... |
mp-867251 | LiZn2Pt | data_[Li4Zn8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1152]
_cell_length_b [6.1152]
_cell_length_c [6.1152]
_c... |
mp-758054 | LiAgF4 | data_[Li4Ag4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5235]
_cell_length_b [5.7859]
_cell_length_c [5.5620]
_ce... |
mp-20404 | Sm2InPd2 | data_[Sm4In2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8178]
_cell_length_b [7.8178]
_cell_length_c [3.8360]
_... |
mp-30927 | CsAs4F13 | data_[Cs2As8F26]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.7890]
_cell_length_b [9.7890]
_cell_length_c [6.8545]
_cell... |
mp-1228640 | B12S | data_[B36S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5916]
_cell_length_b [5.5916]
_cell_length_c [12.3401]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1280748 | Y(FeO2)2 | data_[Y4Fe8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0943]
_cell_length_b [3.5086]
_cell_length_c [6.1377]
_cell... |
mp-1225322 | Dy4Te7 | data_[Dy4Te7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3636]
_cell_length_b [4.3636]
_cell_length_c [17.5754]
_cell_angle_alpha [90.0000]
_cell... |
mp-1222019 | MgCdTe2 | data_[Mg3Cd3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6523]
_cell_length_b [4.6523]
_cell_length_c [22.7178]
_ce... |
mp-1183404 | Be3Cu | data_[Be12Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2162]
_cell_length_b [5.2162]
_cell_length_c [5.2162]
_cell_angle_alpha [90.0000]
_cell... |
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