Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-10967 | CdCu2GeSe4 | data_[Cd2Cu4Ge2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
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 [5.8344]
_cell_length_b [5.... |
mp-754804 | La3Ti4O12 | data_[La6Ti8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.8363]
_cell_length_b [7.8044]
_cell_length_c [7.8988]
_cel... |
mp-23482 | BaBiO3 | data_[Ba6Bi6O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.2754]
_cell_length_b [6.2754]
_cell_length_c [15.1657]
_cel... |
mp-1219039 | SmY(CoNi)2 | data_[Sm2Y2Co4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0228]
_cell_length_b [5.131... |
mp-20147 | ZrMnP | data_[Zr4Mn4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.8775
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4534]
_cell_length_b [3.6405]
_cell_length_c [7.5344]
_cell... |
mp-759897 | Cu2OF2 | data_[Cu8O4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.7059]
_cell_length_b [5.7059]
_cell_length_c [10.1659]
_c... |
mp-1112905 | Cs2HgBiBr6 | data_[Cs8Hg4Bi4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
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 [11.7508]
_cell_length_b [... |
mp-10221 | Pr3(NiGe)4 | data_[Pr6Ni8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1528]
_cell_length_b [4.1879]
_cell_length_c [24.1564]
_c... |
mp-23538 | KFeCl3 | data_[K4Fe4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Fe 1.8300 1.4000 0.8525
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.8623]
_cell_length_b [3.8908]
_cell_length_c [14.2964]
_ce... |
mp-517 | TaSi2 | data_[Ta3Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [4.8060]
_cell_length_b [4.8060]
_cell_length_c [6.6037]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186074 | Na3Pd | data_[Na12Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2316]
_cell_length_b [7.2316]
_cell_length_c [7.2316]
_cell_angle_alpha [90.0000]
_cell... |
mp-1213815 | Ce3TiSb5 | data_[Ce6Ti2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.3324]
_cell_length_b [9.3324]
_cell_length_c [6.2346... |
mp-1183205 | Ag3Au | data_[Ag6Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8898]
_cell_length_b [5.8898]
_cell_length_c [4.8276]
_cell_angle_alpha [90.0000]
_ce... |
mp-8611 | Li8CeO6 | data_[Li24Ce3O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6561]
_cell_length_b [5.6561]
_cell_length_c [16.2235]
_ce... |
mp-677105 | Cu2GeSe3 | data_[Cu8Ge4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.8688]
_cell_length_b [11.9282]
_cell_length_c [6.9055]
_ce... |
mp-1217894 | TaRe | data_[Ta2Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1988]
_cell_length_b [4.6047]
_cell_length_c [4.4677]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-759097 | VF3 | data_[V4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4024]
_cell_length_b [7.4953]
_cell_length_c [5.1457]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-541754 | TiCu2Te3 | data_[Ti4Cu8Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9567]
_cell_length_b [4.0076]
_cell_length_c [7.1615]
_... |
mp-1516766 | KBaPrBiO6 | data_[K4Ba4Pr4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-33985 | Ba(InTe2)2 | data_[Ba2In4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [8.7281]
_cell_length_b [8.7281]
_cell_length_c [7.1927]
_ce... |
mp-1218359 | SrAl3Ag | data_[Sr2Al6Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.3612]
_cell_length_b [4.3612]
_cell_length_c [11.6064]
_c... |
mp-1220258 | NdGa2Ni3 | data_[Nd3Ga6Ni9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.8925]
_cell_length_b [8.8925]
_cell_length_c [4.1496]
_c... |
mp-1215784 | Zn4CdS5 | data_[Zn8Cd2S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9279]
_cell_length_b [3.9279]
_cell_length_c [32.3354]
_ce... |
mp-14205 | K3Cu3As2 | data_[K9Cu9As6]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8044]
_cell_length_b [5.8044]
_cell_length_c [20.6286]
_cel... |
mp-1183888 | Eu2CdSn | data_[Eu8Cd4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9420]
_cell_length_b [7.9420]
_cell_length_c [7.9420]
_c... |
mp-1103178 | CsNdCdTe3 | data_[Cs4Nd4Cd4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6298]
_cell_length_b [17... |
mp-5707 | CsAsF4 | data_[Cs2As2F8]
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 [P2_1]
_cell_length_a [6.7655]
_cell_length_b [4.9081]
_cell_length_c [8.7653]
_cell... |
mp-973843 | Pa2SbTe | data_[Pa8Sb4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4377]
_cell_length_b [7.4377]
_cell_length_c [7.4377]
_c... |
mp-36216 | Ag2S | data_[Ag8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8189]
_cell_length_b [6.9689]
_cell_length_c [7.5773]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1226899 | Ce2SiGe | data_[Ce4Si2Ge2]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9541]
_cell_length_b [5.8916]
_cell_length_c [8.2096]
_... |
mp-1173356 | PrPaO4 | data_[Pr4Pa4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.5490]
_cell_length_b [5.5490]
_cell_length_c [10.9258]... |
mp-862783 | KTl3 | data_[K2Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.9120]
_cell_length_b [7.9120]
_cell_length_c [5.3679]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183448 | Ca2CdGa | data_[Ca8Cd4Ga4]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5179]
_cell_length_b [7.5179]
_cell_length_c [7.5179]
_c... |
mp-10852 | La(BC)2 | data_[La2B4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.4028]
_cell_length_b [5.4028]
_cell_length_c [3.9822]
_cell... |
mp-755278 | Li2VCrO4 | data_[Li4V2Cr2O8]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0705]
_cell_length_b [4.0705... |
mp-559584 | LiCaNiF6 | data_[Li2Ca2Ni2F12]
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
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.1480]
_cell_length_b [5.1... |
mp-252 | BeTe | data_[Be4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.6673]
_cell_length_b [5.6673]
_cell_length_c [5.6673]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1112455 | K2NdAgBr6 | data_[K8Nd4Ag4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nd 1.1400 1.8500 1.2765
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4605]
_cell_length_b [11... |
mp-27707 | RbCoCl3 | data_[Rb2Co2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1599]
_cell_length_b [7.1599]
_cell_length_c [5.8935]... |
mp-13415 | Ta3B2 | data_[Ta6B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.2143]
_cell_length_b [6.2143]
_cell_length_c [3.3014]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1219516 | Sb4(SeS)3 | data_[Sb8Se6S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9528]
_cell_length_b [11.5058]
_cell_length_c [11.9980]
_... |
mp-1215958 | YFeCo | data_[Y4Fe4Co4]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.1022]
_cell_length_b [5.2488]
_cell_length_c [7.1568]
_cell... |
mp-755323 | DyClO | data_[Dy2Cl2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9102]
_cell_length_b [3.9102]
_cell_length_c [6.7236]
_ce... |
mp-1184639 | GdY3 | data_[Gd1Y3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0965]
_cell_length_b [5.0965]
_cell_length_c [5.0965]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1227725 | BaSr | data_[Ba2Sr2]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0156]
_cell_length_b [6.9240]
_cell_length_c [6.7977]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1226507 | CePdRh2 | data_[Ce1Pd1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1607]
_cell_length_b [4.1607]
_cell_length_c [4.0060]
_... |
mp-982881 | PmTm3 | data_[Pm2Tm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9986]
_cell_length_b [4.9986]
_cell_length_c [10.0133]
_cell_angle_alpha [90.0000]
_cel... |
mp-21218 | La(GePt)2 | data_[La2Ge4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4618]
_cell_length_b [4.4609]
_cell_length_c [10.0112]
... |
mp-1221824 | Mn4Si3Ni5 | data_[Mn8Si6Ni10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.5055]
_cell_length_b [4.7380]
_cell_length_c [8.1492]
_c... |
mp-1111679 | K2YInCl6 | data_[K8Y4In4Cl24]
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
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.3462]
_cell_length_b [11.3... |
mp-23364 | CsLiCl2 | data_[Cs2Li2Cl4]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.9469]
_cell_length_b [4.9469]
_cell_length_c [9.6491]
_... |
mp-558369 | K2LiVO4 | data_[K8Li4V4O16]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4816]
_cell_length_b [7.8705]
... |
mp-389 | SiPd | data_[Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6451]
_cell_length_b [3.4691]
_cell_length_c [6.1617]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1186232 | NbTc2Sn | data_[Nb4Tc8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4476]
_cell_length_b [6.4476]
_cell_length_c [6.4476]
_c... |
mp-1105931 | Pr(TmS2)3 | data_[Pr2Tm6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0447]
_cell_length_b [3.9660]
_cell_length_c [11.2635]
... |
mp-27698 | Y6UO12 | data_[Y18U3O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0344]
_cell_length_b [10.0344]
_cell_length_c [9.4660]
_cell_... |
mp-1219033 | SmGa3Au | data_[Sm2Ga6Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2388]
_cell_length_b [4.2388]
_cell_length_c [11.2301]
_c... |
mp-1104851 | GdGa3Ru | data_[Gd3Ga9Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
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 [6.4667]
_cell_length_b [6.4667]
_cell_length_c [6.4667]
_c... |
mp-15650 | AsRu | data_[As4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7662]
_cell_length_b [3.3527]
_cell_length_c [6.4264]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1105892 | Sm7Pd3 | data_[Sm14Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.0835]
_cell_length_b [10.0835]
_cell_length_c [6.4552]
_cell_angle_alpha [90.0000]
_c... |
mp-600622 | EuIO | data_[Eu2I2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0778]
_cell_length_b [4.0778]
_cell_length_c [9.3753]
_cell... |
mp-542342 | Dy5Ga3 | data_[Dy20Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6350]
_cell_length_b [7.6350]
_cell_length_c [14.2061]
_cell_angle_alpha [90.0000]
_c... |
mp-5170 | NdCoSi2 | data_[Nd4Co4Si8]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1645]
_cell_length_b [16.3363]
_cell_length_c [4.0700]
_c... |
mp-1225976 | CsInCuF6 | data_[Cs4In4Cu4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4408]
_cell_length_b [7.89... |
mp-3716 | TbNiSb | data_[Tb4Ni4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3701]
_cell_length_b [6.3701]
_cell_length_c [6.3701]
_c... |
mp-977443 | ZrGeRu2 | data_[Zr4Ge4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3020]
_cell_length_b [6.3020]
_cell_length_c [6.3020]
_c... |
mp-550111 | SmBi2BrO4 | data_[Sm1Bi2Br1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9583]
_cell_length_b [3.9... |
mp-22964 | PbClF | data_[Pb2Cl2F2]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1560]
_cell_length_b [4.1560]
_cell_length_c [7.3371]
_ce... |
mp-1079507 | CeFeSb2 | data_[Ce2Fe2Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3386]
_cell_length_b [4.3386]
_cell_length_c [9.6456]
_... |
mp-1219472 | Sc(AlFe)6 | data_[Sc2Al12Fe12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9544]
_cell_length_b [8.4204]
_cell_length_c [8.5655]
_... |
mp-1226508 | CeSi2OsRu | data_[Ce2Si4Os2Ru2]
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
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2072]
_cell_length_b [4.... |
mp-865994 | YbScRh2 | data_[Yb4Sc4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sc 1.3600 1.6000 0.8850
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5440]
_cell_length_b [6.5440]
_cell_length_c [6.5440]
_c... |
mp-1071492 | ErSnGe | data_[Er4Sn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2614]
_cell_length_b [16.0115]
_cell_length_c [4.1138]
_c... |
mp-1186042 | Na3Ca | data_[Na6Ca2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.6393]
_cell_length_b [7.6393]
_cell_length_c [5.9992]
_cell_angle_alpha [90.0000]
_ce... |
mp-19192 | Y2MnNiO6 | data_[Y4Mn2Ni2O12]
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
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 [5.2799]
_cell_length_b [5.59... |
mp-571552 | Lu(CoGe)2 | data_[Lu2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
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 [3.9270]
_cell_length_b [3.9270]
_cell_length_c [10.0381]
... |
mp-1103598 | RbV5Se8 | data_[Rb2V10Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8074]
_cell_length_b [3.7075]
_cell_length_c [9.0207]
_c... |
mp-1211 | ScCd | data_[Sc1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.5470]
_cell_length_b [3.5470]
_cell_length_c [3.5470]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183588 | CaYbHg2 | data_[Ca4Yb4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5564]
_cell_length_b [7.5564]
_cell_length_c [7.5564]
_c... |
mp-989563 | Rb2NaTlCl6 | data_[Rb8Na4Tl4Cl24]
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
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7581]
_cell_length_b [... |
mp-864902 | MgTlRh2 | data_[Mg4Tl4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4426]
_cell_length_b [6.4426]
_cell_length_c [6.4426]
_c... |
mp-568144 | Dy5In3 | data_[Dy20In12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [12.2950]
_cell_length_b [12.2950]
_cell_length_c [5.9932]
_cell_angle_alpha [90.0000]
_... |
mp-864935 | MgAu3 | data_[Mg2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8586]
_cell_length_b [5.8586]
_cell_length_c [4.8159]
_cell_angle_alpha [90.0000]
_ce... |
mp-1173041 | SrCeN2 | data_[Sr4Ce4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.2256]
_cell_length_b [5.2256]
_cell_length_c [10.3062]
... |
mp-3922 | AgSbS2 | data_[Ag8Sb8S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9656]
_cell_length_b [4.6616]
_cell_length_c [13.2713]
_c... |
mp-1208894 | Sm2Si5Pd3 | data_[Sm8Si20Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.9863]
_cell_length_b [11.7318]
_cell_length_c [5.9696]
... |
mp-1111928 | K2LiAsF6 | data_[K8Li4As4F24]
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
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3448]
_cell_length_b [8.344... |
mp-1183252 | BIr | data_[B1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.0504]
_cell_length_b [3.0504]
_cell_length_c [2.7195]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-614803 | Cs2TeO3 | data_[Cs4Te2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [6.9149]
_cell_length_b [6.9149]
_cell_length_c [8.0731]
_cell... |
mp-1029407 | NaCrN2 | data_[Na4Cr4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.1110]
_cell_length_b [5.1110]
_cell_length_c [8.3227]
_cel... |
mvc-12040 | CrO2 | data_[Cr8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.8837]
_cell_length_b [9.8837]
_cell_length_c [2.9988]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-31205 | Zr3Fe | data_[Zr12Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2443]
_cell_length_b [10.9268]
_cell_length_c [9.0677]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186652 | PmSmRh2 | data_[Pm4Sm4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0255]
_cell_length_b [7.0255]
_cell_length_c [7.0255]
_c... |
mp-1185957 | MgScIr2 | data_[Mg4Sc4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3555]
_cell_length_b [6.3555]
_cell_length_c [6.3555]
_c... |
mp-1560 | LaTe | data_[La4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4875]
_cell_length_b [6.4875]
_cell_length_c [6.4875]
_cell_angle_alpha [90.0000]
_cell_... |
mp-752543 | Li3Ti4VO8 | data_[Li6Ti8V2O16]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3115]
_cell_length_b [5.886... |
mp-1275946 | V3O5 | data_[V6O10]
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 [P-1]
_cell_length_a [5.1891]
_cell_length_b [5.7025]
_cell_length_c [7.0959]
_cell_angle_alpha [109.4053]
_cell_angl... |
mp-11583 | Zr2SN2 | data_[Zr4S2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6470]
_cell_length_b [3.6470]
_cell_length_c [12.9216]
_c... |
mp-6950 | BaSb3 | data_[Ba4Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9940]
_cell_length_b [8.6298]
_cell_length_c [6.5775]
_cell_angle_alpha [90.0000]
_cell... |
mp-1080562 | USnPt | data_[U3Sn3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4619]
_cell_length_b [7.4619]
_cell_length_c [4.1626]
_cel... |
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