Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-867674 | Ba3CaI8 | data_[Ba6Ca2I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.2368]
_cell_length_b [8.2368]
_cell_length_c [16.4584]
_... |
mp-978805 | SmLuHg2 | data_[Sm4Lu4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Lu 1.2700 1.7500 1.0010
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4655]
_cell_length_b [7.4655]
_cell_length_c [7.4655]
_c... |
mp-2175 | TlF | data_[Tl4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6815]
_cell_length_b [5.6815]
_cell_length_c [5.6815]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1111489 | K3InF6 | data_[K12In4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2325]
_cell_length_b [9.2325]
_cell_length_c [9.2325]
_cel... |
mp-1221353 | Na2EuGeSe4 | data_[Na4Eu2Ge2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.4062]
_cell_length_b [7.... |
mp-1158 | LuPd3 | data_[Lu1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0815]
_cell_length_b [4.0815]
_cell_length_c [4.0815]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865878 | Ti2TcNi | data_[Ti8Tc4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0983]
_cell_length_b [6.0983]
_cell_length_c [6.0983]
_c... |
mp-15951 | BeF2 | data_[Be3F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [4.8080]
_cell_length_b [4.8080]
_cell_length_c [5.2625]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1105676 | Tb5Si3C | data_[Tb10Si6C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
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 [8.4917]
_cell_length_b [8.4917]
_cell_length_c [6.4779]
... |
mp-861512 | PrCrSe3 | data_[Pr4Cr4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1736]
_cell_length_b [3.9843]
_cell_length_c [13.7970]
_... |
mp-865158 | YbNdHg2 | data_[Yb4Nd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Nd 1.1400 1.8500 1.2765
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5894]
_cell_length_b [7.5894]
_cell_length_c [7.5894]
_c... |
mp-1113042 | Cs2KMoCl6 | data_[Cs8K4Mo4Cl24]
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
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9941]
_cell_length_b [10... |
mp-603326 | Gd2CdPd2 | data_[Gd4Cd2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.7849]
_cell_length_b [7.7849]
_cell_length_c [3.7894]
_... |
mp-38487 | Li7BiO6 | data_[Li7Bi1O6]
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 [P1]
_cell_length_a [5.5297]
_cell_length_b [5.5837]
_cell_length_c [6.0474]
_cell_a... |
mp-677039 | Li5TiAs3 | data_[Li20Ti4As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5243]
_cell_length_b [6.0835]
_cell_length_c [8.5153]
... |
mp-2696 | MgAg | data_[Mg1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.3353]
_cell_length_b [3.3353]
_cell_length_c [3.3353]
_cell_angle_alpha [90.0000]
_cell_... |
mp-37873 | Li3ErBr6 | data_[Li12Er4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9309]
_cell_length_b [11.9054]
_cell_length_c [13.2571]... |
mp-510232 | Nd12Co6Sn | data_[Nd24Co12Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.0221]
_cell_length_b [10.0221]
_cell_length_c [10.0221... |
mp-20020 | NdCuSb2 | data_[Nd2Cu2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3692]
_cell_length_b [4.3692]
_cell_length_c [10.1362]
... |
mp-865655 | TiNbTc2 | data_[Ti4Nb4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3088]
_cell_length_b [6.3088]
_cell_length_c [6.3088]
_c... |
mp-21455 | EuAlO3 | data_[Eu4Al4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3190]
_cell_length_b [7.5559]
_cell_length_c [5.3399]
_cel... |
mp-36234 | NaTlO2 | data_[Na4Tl4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.8879]
_cell_length_b [4.8879]
_cell_length_c [9.4816]
_... |
mp-613733 | K2PdN2(ClO2)2 | data_[K2Pd1N2Cl2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5... |
mp-1104791 | Li(Mg2Si)4 | data_[Li1Mg8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.4133]
_cell_length_b [6.4133]
_cell_length_c [6.4133]
_c... |
mp-1102099 | HoFe2 | data_[Ho4Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1552]
_cell_length_b [5.1552]
_cell_length_c [8.3036]
_cell_angle_alpha [90.0000]
_ce... |
mp-28136 | Hg2IO | data_[Hg16I8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.9367]
_cell_length_b [7.1785]
_cell_length_c [7.0382]
_cell... |
mp-5173 | Ce(SiAu)2 | data_[Ce2Si4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3365]
_cell_length_b [4.3365]
_cell_length_c [10.2310]
... |
mp-11166 | BaZnCO3F2 | data_[Ba2Zn2C2O6F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a ... |
mp-1022726 | Ba2CuH6 | data_[Ba8Cu4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.6507]
_cell_length_b [5.8583]
_cell_length_c [5.8558]
_ce... |
mp-1147773 | K2ZnS2 | data_[K8Zn4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.7953]
_cell_length_b [12.6693]
_cell_length_c [6.2489]
_cell_... |
mp-4334 | Sm(CoGe)2 | data_[Sm2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9992]
_cell_length_b [3.9992]
_cell_length_c [10.2430]
... |
mp-978906 | Sm3Dy | data_[Sm6Dy2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0964]
_cell_length_b [5.0964]
_cell_length_c [10.1729]
_cell_angle_alpha [90.0000]
_cel... |
mp-1096836 | Ba3SnS4 | data_[Ba3Sn1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.3326]
_cell_length_b [6.3326]
_cell_length_c [6.3326]
_cel... |
mp-33816 | Rb6Fe2O5 | data_[Rb12Fe4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.2995]
_cell_length_b [12.0649]
_cell_length_c [7.1045]
_cel... |
mp-550925 | NaScAs2O7 | data_[Na2Sc2As4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sc 1.3600 1.6000 0.8850
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.0740]
_cell_length_b [8.8750... |
mp-568263 | GaSe | data_[Ga8Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.8126]
_cell_length_b [3.8126]
_cell_length_c [35.1047]
_cell_angle_alpha [90.0000]
_cel... |
mp-21394 | EuO | data_[Eu4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0831]
_cell_length_b [5.0831]
_cell_length_c [5.0831]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1178391 | CsLiWO4 | data_[Cs2Li2W2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.9971]
_cell_length_b [5.9971]
... |
mp-1651775 | La2VFeO6 | data_[La4V2Fe2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
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 [P-1]
_cell_length_a [5.6102]
_cell_length_b [5.6793]... |
mp-1018784 | LiCe(CuP)2 | data_[Li1Ce1Cu2P2]
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
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0139]
_cell_length_b [4.01... |
mp-1566976 | BaSr3(CoO3)4 | data_[Ba1Sr3Co4O12]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7944]
_cell_length_b [5.5418... |
mp-11433 | ErGaCo | data_[Er4Ga4Co4]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6720]
_cell_length_b [4.0806]
_cell_length_c [7.6289]
_ce... |
mp-767304 | LiMn2F6 | data_[Li2Mn4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7629]
_cell_length_b [4.7563]
_cell_length_c [10.6383]
_... |
mp-1225229 | Gd(Fe5Si)2 | data_[Gd2Fe20Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7324]
_cell_length_b [8.3159]
_cell_length_c [8.3838]
_c... |
mp-540912 | As3Ir | data_[As24Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.5960]
_cell_length_b [8.5960]
_cell_length_c [8.5960]
_cell_angle_alpha [90.0000]
_cell_... |
mp-982017 | PrYTl2 | data_[Pr4Y4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7434]
_cell_length_b [7.7434]
_cell_length_c [7.7434]
_cel... |
mp-1113050 | Cs2KGaCl6 | data_[Cs8K4Ga4Cl24]
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
Ga 1.8100 1.3000 0.7600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8939]
_cell_length_b [10... |
mp-1111624 | K2NaSbCl6 | data_[K8Na4Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7794]
_cell_length_b [10... |
mp-1112053 | K2CuBiBr6 | data_[K8Cu4Bi4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0363]
_cell_length_b [11... |
mp-1006322 | Ce(FeB)4 | data_[Ce2Fe8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.0078]
_cell_length_b [7.0078]
_cell_length_c [3.8168]
_ce... |
mp-1216613 | U2(SiGe)3 | data_[U2Si3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.1164]
_cell_length_b [4.1390]
_cell_length_c [8.1834]
_cell... |
mp-22473 | NaInSe2 | data_[Na3In3Se6]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0373]
_cell_length_b [4.0373]
_cell_length_c [21.1862]
_c... |
mp-1215655 | YbCu5S4 | data_[Yb2Cu10S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2051]
_cell_length_b [3.8202]
_cell_length_c [6.5566]
_ce... |
mp-1187799 | YbZnPd2 | data_[Yb4Zn4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5096]
_cell_length_b [6.5096]
_cell_length_c [6.5096]
_c... |
mp-866122 | Tm2RuRh | data_[Tm8Ru4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7415]
_cell_length_b [6.7415]
_cell_length_c [6.7415]
_c... |
mp-1188506 | La3Ir | data_[La12Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4517]
_cell_length_b [10.0704]
_cell_length_c [6.6667]
_cell_angle_alpha [90.0000]
_cell... |
mp-865664 | TiRe2W | data_[Ti4Re8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2725]
_cell_length_b [6.2725]
_cell_length_c [6.2725]
_cel... |
mp-19791 | Ca(GeRu)2 | data_[Ca2Ge4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2908]
_cell_length_b [4.2908]
_cell_length_c [10.0498]
... |
mp-1217289 | ThZr3 | data_[Th1Zr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3125]
_cell_length_b [3.3125]
_cell_length_c [10.7847]
_cell_angle_alpha [90.0000]
_cell... |
mp-1097933 | Sr2Mg | data_[Sr8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0939]
_cell_length_b [4.2111]
_cell_length_c [8.4538]
_cell_angle_alpha [90.0000]
_cell_... |
mvc-6615 | BiO2 | data_[Bi8O16]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1182]
_cell_length_b [7.3434]
_cell_length_c [7.3046]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-8396 | CsEuF3 | data_[Cs1Eu1F3]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8394]
_cell_length_b [4.8394]
_cell_length_c [4.8394]
_cel... |
mp-1205574 | Cs2KScF6 | data_[Cs8K4Sc4F24]
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
Sc 1.3600 1.6000 0.8850
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.3302]
_cell_length_b [9.330... |
mp-30648 | LiMg2Ga | data_[Li4Mg8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6791]
_cell_length_b [6.6791]
_cell_length_c [6.6791]
_c... |
mp-8874 | LiSiBO4 | data_[Li2Si2B2O8]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [4.4507]
_cell_length_b [4.4507]
... |
mp-775737 | LiNi9O10 | data_[Li1Ni9O10]
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 [5.1302]
_cell_length_b [5.9205]
_cell_length_c [6.6448]
_cell... |
mp-1078738 | Er2InCu2 | data_[Er4In2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6102]
_cell_length_b [7.6102]
_cell_length_c [3.5901]
_... |
mp-1078566 | Ce2Mn2Se2O3 | data_[Ce4Mn4Se4O6]
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
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1515]
_cell_length_b [4.1... |
mp-1216527 | TlIn | data_[Tl3In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4652]
_cell_length_b [3.4652]
_cell_length_c [16.7327]
_cell_angle_alpha [90.0000]
_cell_... |
mp-718 | SnPd3 | data_[Sn1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0469]
_cell_length_b [4.0469]
_cell_length_c [4.0469]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1218083 | Ta6TeSe2 | data_[Ta24Te4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5069]
_cell_length_b [4.8106]
_cell_length_c [10.9744]
... |
mp-1218388 | Sr2VMoO6 | data_[Sr4V2Mo2O12]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6603]
_cell_length_b [5.66... |
mp-1100986 | Tm2CuO4 | data_[Tm4Cu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1360]
_cell_length_b [5.4098]
_cell_length_c [5.4836]
_ce... |
mp-547622 | Pm2O3 | data_[Pm2O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8234]
_cell_length_b [3.8234]
_cell_length_c [6.0411]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1102354 | ThTc2 | data_[Th4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2732]
_cell_length_b [5.2732]
_cell_length_c [9.7713]
_cell_angle_alpha [90.0000]
_ce... |
mp-1226191 | Cs2Ge(TeO4)3 | data_[Cs6Ge3Te9O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3001]
_cell_length_b [7.30... |
mp-1205432 | Tb2Co7 | data_[Tb12Co42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9644]
_cell_length_b [4.9644]
_cell_length_c [36.0712]
_cell_angle_alpha [90.0000]
_cel... |
mp-768230 | SmTaO4 | data_[Sm4Ta4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9291]
_cell_length_b [14.9978]
_cell_length_c [5.5523]
_... |
mp-1218057 | Ta5Ga2Sn | data_[Ta40Ga16Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.1766]
_cell_length_b [14.7468]
_cell_length_c [14.8937]... |
mp-1188274 | La5Pb3Se | data_[La10Pb6Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.7671]
_cell_length_b [9.7671]
_cell_length_c [7.2057... |
mp-1227562 | Ca4Cd3Au | data_[Ca4Cd3Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8921]
_cell_length_b [3.8921]
_cell_length_c [14.4408]
... |
mp-864753 | LiYb2Ga | data_[Li4Yb8Ga4]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4170]
_cell_length_b [7.4170]
_cell_length_c [7.4170]
_c... |
mp-1104429 | MgAlH5 | data_[Mg4Al4H20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [4.5077]
_cell_length_b [13.0120]
_cell_length_c [4.2732]
_... |
mp-10838 | NaYb(PS3)2 | data_[Na2Yb2P4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Yb 1.1000 1.7500 1.0840
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3224]
_cell_length_b [7.3449]... |
mp-1226539 | CeSiAg | data_[Ce1Si1Ag1]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3840]
_cell_length_b [4.3840]
_cell_length_c [4.0668]
_c... |
mp-6294 | Sr2ErRuO6 | data_[Sr4Er2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Er 1.2400 1.7500 1.0300
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7967]
_cell_length_b [5.... |
mp-18021 | Ge3Mo5C | data_[Ge6Mo10C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.4697]
_cell_length_b [7.4697]
_cell_length_c [5.3412]
... |
mp-6885 | Ba2CaTl2(CuO4)2 | data_[Ba4Ca2Tl4Cu4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_leng... |
mp-754220 | Tm(CuO2)2 | data_[Tm4Cu8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.6348]
_cell_length_b [5.6348]
_cell_length_c [9.5582]
_c... |
mp-8377 | TeO2 | data_[Te4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.4712]
_cell_length_b [5.1089]
_cell_length_c [8.7980]
_cell_angle_alpha [90.0000]
_ce... |
mp-1215934 | YMnAl | data_[Y4Mn4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.4988]
_cell_length_b [5.5414]
_cell_length_c [7.6433]
_cell... |
mp-13270 | CaAg2 | data_[Ca4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.7186]
_cell_length_b [7.3460]
_cell_length_c [8.2753]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-761166 | LiFeF3 | data_[Li4Fe4F12]
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 [Cc]
_cell_length_a [9.1348]
_cell_length_b [5.2360]
_cell_length_c [5.5866]
_cell_... |
mp-1206166 | ErCdAu | data_[Er3Cd3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8954]
_cell_length_b [7.8954]
_cell_length_c [3.7730]
_c... |
mp-1223308 | La2NiSn4 | data_[La4Ni2Sn8]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5291]
_cell_length_b [4.5505]
_cell_length_c [17.8473]
_c... |
mp-1105212 | Rb2AgPS4 | data_[Rb4Ag2P2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7244]
_cell_length_b [7.0363]
... |
mp-13954 | Rb2GeF6 | data_[Rb4Ge2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [6.0795]
_cell_length_b [6.0795]
_cell_length_c [9.9005]
_c... |
mp-1216699 | Tl3In5Se8 | data_[Tl3In5Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P422]
_cell_length_a [8.2576]
_cell_length_b [8.2576]
_cell_length_c [6.9626]
_ce... |
mp-7896 | Cs2O2 | data_[Cs4O4]
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 [Immm]
_cell_length_a [4.3947]
_cell_length_b [6.5784]
_cell_length_c [7.6421]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1070103 | Hf2Pt3 | data_[Hf4Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4839]
_cell_length_b [3.4839]
_cell_length_c [14.7572]
_cell_angle_alpha [90.0000]
_cel... |
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