Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1190471 | Ba(Sn2Ru)3 | data_[Ba4Sn24Ru12]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.2348]
_cell_length_b [26.5208]
_cell_length_c [4.4789]
... |
mp-1216721 | Tm5Te4Se | data_[Tm10Te8Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
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 [14.3500]
_cell_length_b [4.2234]
_cell_length_c [10.3015]
... |
mp-1188594 | Cu2TeO6 | data_[Cu4Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7025]
_cell_length_b [5.0423]
_cell_length_c [9.6968]
_c... |
mp-850419 | MnV4NiO12 | data_[Mn2V8Ni2O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.1472]
_cell_length_b [9.1434]... |
mp-2051 | LaCu2 | data_[La1Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.3281]
_cell_length_b [4.3281]
_cell_length_c [3.8254]
_cell_angle_alpha [90.0000]
_cell... |
mp-568052 | K2Ga3 | data_[K8Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2147]
_cell_length_b [6.2147]
_cell_length_c [14.9614]
_cell_angle_alpha [90.0000]
_cell... |
mp-1206333 | TbCr2Si2C | data_[Tb1Cr2Si2C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9693]
_cell_length_b [3.9... |
mp-20865 | YCuPb | data_[Y2Cu2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.6339]
_cell_length_b [4.6339]
_cell_length_c [7.3963]
_ce... |
mp-1206970 | KPaO3 | data_[K1Pa1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3868]
_cell_length_b [4.3868]
_cell_length_c [4.3868]
_cell_... |
mp-20346 | TbInCo2 | data_[Tb2In2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.0437]
_cell_length_b [4.0269]
_cell_length_c [7.1632]
_ce... |
mp-1228994 | AlGa2Bi(BO3)4 | data_[Al2Ga4Bi2B8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Bi 2.0200 1.6000 1.0350
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [... |
mp-1183783 | DyErRu2 | data_[Dy4Er4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7770]
_cell_length_b [6.7770]
_cell_length_c [6.7770]
_c... |
mp-8352 | SiO2 | data_[Si8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.4609]
_cell_length_b [7.4609]
_cell_length_c [7.4609]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-14037 | NaTl2RhF6 | data_[Na4Tl8Rh4F24]
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
Rh 2.2800 1.3500 0.7450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6724]
_cell_length_b [8.6... |
mp-8676 | Tl(CuS)2 | data_[Tl2Cu4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7801]
_cell_length_b [3.7801]
_cell_length_c [13.6649]
_c... |
mp-1218382 | Sr4Bi2O | data_[Sr8Bi4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.0479]
_cell_length_b [5.0479]
_cell_length_c [17.7561]
_cel... |
mp-1209333 | Pr3Bi4Pt3 | data_[Pr12Bi16Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [10.1833]
_cell_length_b [10.1833]
_cell_length_c [10.18... |
mp-1189102 | Sr2LaSbO6 | data_[Sr4La2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9809]
_cell_length_b [6.... |
mp-1226980 | Ce2Ga7Pd | data_[Ce2Ga7Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.3694]
_cell_length_b [4.3694]
_cell_length_c [10.4567]
_c... |
mp-1023933 | WSe2 | data_[W2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3271]
_cell_length_b [3.3271]
_cell_length_c [25.0690]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-206 | Tb5Si3 | data_[Tb10Si6]
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
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4931]
_cell_length_b [8.4931]
_cell_length_c [6.4144]
_cell_angle_alpha [90.0000]
_c... |
mp-1215887 | YU(CuSi)4 | data_[Y1U1Cu4Si4]
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
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9714]
_cell_length_b [3.971... |
mp-569085 | Li6Br3N | data_[Li12Br6N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2719]
_cell_length_b [6.3839]
_cell_length_c [10.9831]
_... |
mp-976333 | Li2AcTl | data_[Li8Ac4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3605]
_cell_length_b [7.3605]
_cell_length_c [7.3605]
_c... |
mp-1225823 | Dy(InCu)6 | data_[Dy2In12Cu12]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5701]
_cell_length_b [9.1459]
_cell_length_c [9.1861]
_... |
mp-756105 | Li2TiV3O8 | data_[Li4Ti2V6O16]
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 [Cm]
_cell_length_a [12.2306]
_cell_length_b [4.0473]... |
mp-19069 | NiAgO2 | data_[Ni3Ag3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0027]
_cell_length_b [3.0027]
_cell_length_c [18.4785]
_cel... |
mp-1103115 | PrNiGe | data_[Pr4Ni4Ge4]
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 [Pnma]
_cell_length_a [7.2794]
_cell_length_b [4.3500]
_cell_length_c [7.4529]
_ce... |
mp-6916 | Sm(BC)2 | data_[Sm2B4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
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 [5.3808]
_cell_length_b [5.3808]
_cell_length_c [3.7263]
_cell... |
mp-1105400 | Nd3Bi4Au3 | data_[Nd12Bi16Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [10.3446]
_cell_length_b [10.3446]
_cell_length_c [10.34... |
mp-1216631 | TmUTe4 | data_[Tm2U2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1899]
_cell_length_b [6.0970]
_cell_length_c [14.0996]
_cel... |
mp-1183078 | Ac2MgPb | data_[Ac8Mg4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3007]
_cell_length_b [8.3007]
_cell_length_c [8.3007]
_c... |
mp-1187463 | TiBe2Pt | data_[Ti4Be8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7272]
_cell_length_b [5.7272]
_cell_length_c [5.7272]
_c... |
mp-1282857 | Sr2MnGaO5 | data_[Sr16Mn8Ga8O40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.7350]
_cell_length_b [7.8... |
mp-1208228 | Ti3NbAl2 | data_[Ti3Nb1Al2]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5930]
_cell_length_b [4.5930]
_cell_length_c [5.5014]
_c... |
mp-755435 | Tl2Au | data_[Tl8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8192]
_cell_length_b [7.8192]
_cell_length_c [5.4984]
_cell_angle_alpha [90.0000]
_cell... |
mp-1185848 | 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 [I4/mmm]
_cell_length_a [4.0778]
_cell_length_b [4.0778]
_cell_length_c [8.5883]
_cell_angle_alpha [90.0000]
_cell... |
mp-17910 | Nb5Ge3 | data_[Nb10Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.7085]
_cell_length_b [7.7085]
_cell_length_c [5.3636]
_cell_angle_alpha [90.0000]
_c... |
mp-1207615 | YHfF7 | data_[Y2Hf2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hf 1.3000 1.5500 0.8500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.1042]
_cell_length_b [5.7051]
_cell_length_c [8.2710]
_cell_... |
mp-1225611 | Er2PtAu | data_[Er4Pt2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6340]
_cell_length_b [5.5814]
_cell_length_c [6.9622]
_... |
mp-1215449 | YbZnIn | data_[Yb1Zn1In1]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.7437]
_cell_length_b [4.7437]
_cell_length_c [3.6693]
_c... |
mp-568062 | DyTlSe2 | data_[Dy3Tl3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1874]
_cell_length_b [4.1874]
_cell_length_c [23.3213]
_c... |
mp-569100 | LaRh3 | data_[La9Rh27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3800]
_cell_length_b [5.3800]
_cell_length_c [26.8793]
_cell_angle_alpha [90.0000]
_cell... |
mp-13676 | TlPO4 | data_[Tl4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4986]
_cell_length_b [8.2704]
_cell_length_c [7.2597]
_cell_... |
mp-16487 | Ce(MnAl2)4 | data_[Ce2Mn8Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.8461]
_cell_length_b [8.8461]
_cell_length_c [5.1673]
... |
mp-1215628 | ZnInGeAs3 | data_[Zn2In2Ge2As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7999]
_cell_length_b [4.16... |
mp-1189212 | TaSiRu | data_[Ta12Si12Ru12]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.3335]
_cell_length_b [11.1960]
_cell_length_c [6.5134]... |
mp-1208065 | TlHg5Br11 | data_[Tl2Hg10Br22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9342]
_cell_length_b [15.7493]
_cell_length_c [6.9601]... |
mp-1095677 | NpSb2 | data_[Np8Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.1746]
_cell_length_b [6.1309]
_cell_length_c [17.2480]
_cell_angle_alpha [90.0000]
_cell... |
mp-1215957 | YCoNi | data_[Y4Co4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Imma]
_cell_length_a [5.0284]
_cell_length_b [5.0583]
_cell_length_c [7.1877]
_cell... |
mp-767588 | LiMnF5 | data_[Li2Mn2F10]
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 [Pmmn]
_cell_length_a [6.8335]
_cell_length_b [7.0897]
_cell_length_c [3.7904]
_cel... |
mp-1214518 | Ba3Sr3(BiN)2 | data_[Ba6Sr6Bi4N4]
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
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.6391]
_cell_length_b [7... |
mp-1207958 | TmZnSn | data_[Tm4Zn4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5142]
_cell_length_b [4.5142]
_cell_length_c [15.3221... |
mp-1068891 | Sr(CuSn)2 | data_[Sr2Cu4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3373]
_cell_length_b [4.3271]
_cell_length_c [4.8844]
_c... |
mp-1187829 | Y3Th | data_[Y6Th2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1032]
_cell_length_b [5.1032]
_cell_length_c [10.0186]
_cell_angle_alpha [90.0000]
_cell_... |
mp-559289 | YTaO4 | data_[Y4Ta4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0822]
_cell_length_b [11.0905]
_cell_length_c [5.1194]
_cell... |
mp-1094567 | LiMg3 | data_[Li2Mg6]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5464]
_cell_length_b [4.5464]
_cell_length_c [8.4844]
_cell_angle_alpha [90.0000]
_cell... |
mp-1217169 | Ti4CrC5 | data_[Ti12Cr3C15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0243]
_cell_length_b [3.0243]
_cell_length_c [37.0303]
_c... |
mvc-12386 | Ca(FeO2)2 | data_[Ca4Fe8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
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 [10.8798]
_cell_length_b [6.2271]
_cell_length_c [6.1918]
_ce... |
mp-1183607 | Ca2PbAu | data_[Ca8Pb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5685]
_cell_length_b [7.5685]
_cell_length_c [7.5685]
_c... |
mp-11496 | LuZn | data_[Lu1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4970]
_cell_length_b [3.4970]
_cell_length_c [3.4970]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1094445 | MgZn | data_[Mg6Zn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.4396]
_cell_length_b [4.8885]
_cell_length_c [5.6978]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-21014 | DySnPd2 | data_[Dy4Sn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7996]
_cell_length_b [6.7996]
_cell_length_c [6.7996]
_c... |
mp-755597 | Ca2CeO4 | data_[Ca4Ce2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.8485]
_cell_length_b [10.0270]
_cell_length_c [3.5330]
_cel... |
mp-4206 | UAs2Pd | data_[U2As4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9993]
_cell_length_b [3.9993]
_cell_length_c [9.5469]
_ce... |
mp-570690 | SiC | data_[Si27C27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.0982]
_cell_length_b [3.0982]
_cell_length_c [68.2302]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-12791 | SmCuSn | data_[Sm2Cu2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.5889]
_cell_length_b [4.5889]
_cell_length_c [7.4733]
_... |
mp-36800 | MgTaN2 | data_[Mg4Ta4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.3186]
_cell_length_b [4.3186]
_cell_length_c [8.8892]
_... |
mp-1215572 | YbSc(BO3)2 | data_[Yb3Sc3B6O18]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.9132]
_cell_length_b [4.9132]... |
mp-1112115 | Cs2RbTbCl6 | data_[Cs8Rb4Tb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
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 [11.5936]
_cell_length_b [... |
mp-28722 | Pt(SCl3)2 | data_[Pt1S2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8949]
_cell_length_b [6.9492]
_cell_length_c [8.3991]
_cell_... |
mp-1226767 | Ce2CoRu3 | data_[Ce6Co3Ru9]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2882]
_cell_length_b [5.2882]
_cell_length_c [12.8830]
_c... |
mp-28483 | WBr6 | data_[W3Br18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9733]
_cell_length_b [6.9733]
_cell_length_c [18.7880]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-758388 | Li3Fe3O8 | data_[Li9Fe9O24]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8604]
_cell_length_b [5.8604]
_cell_length_c [14.4921]
_ce... |
mp-1214786 | AsRuS | data_[As4Ru4S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9647]
_cell_length_b [5.9509]
_cell_length_c [6.0075]
_ce... |
mp-1221339 | Na2MnCoNiO6 | data_[Na4Mn2Co2Ni2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a... |
mp-1226659 | CeCo3Cu2 | data_[Ce1Co3Cu2]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9450]
_cell_length_b [4.9450]
_cell_length_c [4.0206]
_... |
mp-1040443 | KBaBiTeO6 | data_[K2Ba2Bi2Te2O12]
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
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length... |
mp-38725 | NaBH4 | data_[Na2B2H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [4.3326]
_cell_length_b [4.3326]
_cell_length_c [5.8938]
_ce... |
mp-1218497 | Sr4Mn2Cu3(SeO)4 | data_[Sr8Mn4Cu6Se8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222]
_cell_length_... |
mp-1106288 | Zr5Sb3Se | data_[Zr10Sb6Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.5639]
_cell_length_b [8.5639]
_cell_length_c [6.1807... |
mp-754710 | Sr2CaI6 | data_[Sr2Ca1I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.1512]
_cell_length_b [8.1512]
_cell_length_c [7.1899]
_cel... |
mp-754565 | LiFe6O7F5 | data_[Li1Fe6O7F5]
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 [P1]
_cell_length_a [5.8516]
_cell_length_b [6.0387]
_... |
mp-1019729 | Eu3AlO5 | data_[Eu12Al4O20]
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 [I4/mcm]
_cell_length_a [6.7055]
_cell_length_b [6.7055]
_cell_length_c [11.1307]
... |
mp-1104240 | Y3Ga9Pt2 | data_[Y6Ga18Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2824]
_cell_length_b [9.7124]
_cell_length_c [12.5536]
_ce... |
mp-1214593 | Ba2Y2Mn4O11 | data_[Ba4Y4Mn8O22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.1852]
_cell_length_b [15.521... |
mp-1225957 | CsTlAgF6 | data_[Cs4Tl4Ag4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.8665]
_cell_length_b [8.31... |
mp-31015 | Ta3SBr7 | data_[Ta6S2Br14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4089]
_cell_length_b [7.1640]
_cell_length_c [9.2727]
_cell... |
mp-3056 | NaTlO2 | data_[Na3Tl3O6]
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 [R-3m]
_cell_length_a [3.4158]
_cell_length_b [3.4158]
_cell_length_c [16.7392]
_cel... |
mp-1206266 | K2NaCrCl6 | data_[K8Na4Cr4Cl24]
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
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.1744]
_cell_length_b [10... |
mp-19445 | LiLa4NiO8 | data_[Li2La8Ni2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3491]
_cell_length_b [12.8... |
mp-1188792 | Ti4Co7Ge6 | data_[Ti8Co14Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.6599]
_cell_length_b [7.6599]
_cell_length_c [7.6599]
... |
mp-2988 | Li2GaRh | data_[Li8Ga4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0075]
_cell_length_b [6.0075]
_cell_length_c [6.0075]
_c... |
mp-632229 | HBr | data_[H4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [7.3274]
_cell_length_b [5.5714]
_cell_length_c [5.5403]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-865907 | LiZn3 | data_[Li4Zn12]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1374]
_cell_length_b [6.1374]
_cell_length_c [6.1374]
_cell_angle_alpha [90.0000]
_cell... |
mp-1080452 | KCd4As3 | data_[K3Cd12As9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5660]
_cell_length_b [4.5660]
_cell_length_c [36.5834]
_ce... |
mp-1411 | TaS2 | data_[Ta4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.3421]
_cell_length_b [22.9859]
_cell_length_c [5.7898]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1104615 | V2O5 | data_[V4O10]
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 [6.2899]
_cell_length_b [6.5972]
_cell_length_c [7.3638]
_cell_angle_alpha [77.3659]
_cell_angle... |
mp-975442 | NdErIn2 | data_[Nd4Er4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6373]
_cell_length_b [7.6373]
_cell_length_c [7.6373]
_c... |
mp-571495 | LuB4 | data_[Lu4B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.0269]
_cell_length_b [7.0269]
_cell_length_c [3.9682]
_cell_angle_alpha [90.0000]
_cell_... |
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