Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-8930 | K2GeAs2 | data_[K8Ge4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.0979]
_cell_length_b [13.5298]
_cell_length_c [6.6721]
_cel... |
mp-1078497 | YbGa2Ni | data_[Yb4Ga8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0942]
_cell_length_b [9.5511]
_cell_length_c [6.9554]
_ce... |
mp-1217981 | SrNdNiO4 | data_[Sr2Nd2Ni2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8319]
_cell_length_b [3.831... |
mp-2206 | LuCo2 | data_[Lu8Co16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.0715]
_cell_length_b [7.0715]
_cell_length_c [7.0715]
_cell_angle_alpha [90.0000]
_cell... |
mp-1184084 | Er2AlZn | data_[Er8Al4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1243]
_cell_length_b [7.1243]
_cell_length_c [7.1243]
_c... |
mp-1205957 | Hf6NiBi2 | data_[Hf6Ni1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8242]
_cell_length_b [7.8242]
_cell_length_c [3.6705]
_c... |
mp-1184591 | Hg | data_[Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.2049]
_cell_length_b [6.2049]
_cell_length_c [3.2754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-36884 | Mn2SnO4 | data_[Mn8Sn4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.3112]
_cell_length_b [6.4064]
_cell_length_c [9.0680]
_cel... |
mp-865369 | Tm2OsAu | data_[Tm8Os4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9058]
_cell_length_b [6.9058]
_cell_length_c [6.9058]
_c... |
mp-1184620 | Hf2CoCu | data_[Hf8Co4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3765]
_cell_length_b [6.3765]
_cell_length_c [6.3765]
_c... |
mp-1079747 | Sr2Ti2As2OF2 | data_[Sr4Ti4As4O2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ti 1.5400 1.4000 0.8517
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_... |
mp-1224446 | Hf3TaFe8 | data_[Hf3Ta1Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9264]
_cell_length_b [4.9264]
_cell_length_c [7.9965]
_ce... |
mp-1188069 | Zr2Ni7 | data_[Zr8Ni28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.6768]
_cell_length_b [8.1968]
_cell_length_c [12.1163]
_cell_angle_alpha [90.0000]
_cell... |
mp-568177 | CaAlSiH | data_[Ca1Al1Si1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1433]
_cell_length_b [4.143... |
mp-862689 | Cs3Rb | data_[Cs6Rb2]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [10.7476]
_cell_length_b [10.7476]
_cell_length_c [8.7148]
_cell_angle_alpha [90.0000]
_... |
mp-11107 | Ac2O3 | data_[Ac2O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1006]
_cell_length_b [4.1006]
_cell_length_c [6.3784]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1111589 | K2TlAsBr6 | data_[K8Tl4As4Br24]
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
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5281]
_cell_length_b [11... |
mp-1209307 | Rb3CoCl5 | data_[Rb12Co4Cl20]
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 [I4/mcm]
_cell_length_a [8.9830]
_cell_length_b [8.9830]
_cell_length_c [14.3544... |
mp-697068 | SiPd2 | data_[Si3Pd6]
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 [P-62m]
_cell_length_a [6.5429]
_cell_length_b [6.5429]
_cell_length_c [3.5176]
_cell_angle_alpha [90.0000]
_cell_... |
mp-607477 | CsSc3(CuTe3)2 | data_[Cs2Sc6Cu4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sc 1.3600 1.6000 0.8850
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 [17.9034]
_cell_length_b [4... |
mp-1215400 | Zr3Se4 | data_[Zr6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8870]
_cell_length_b [10.7107]
_cell_length_c [3.7651]
_cell_angle_alpha [90.0000]
_cell_... |
mp-460 | PrZn | data_[Pr1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7151]
_cell_length_b [3.7151]
_cell_length_c [3.7151]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225944 | CsSbWO6 | data_[Cs4Sb4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.3280]
_cell_length_b [10.511... |
mp-765508 | V3(O2F)2 | data_[V3O4F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0957]
_cell_length_b [5.1162]
_cell_length_c [5.5711]
_cell_angle... |
mp-996963 | CdAgO2 | data_[Cd4Ag4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8299]
_cell_length_b [9.3128]
_cell_length_c [3.4481]
_cell... |
mp-866126 | DyNbRu2 | data_[Dy4Nb4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Nb 1.6000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5638]
_cell_length_b [6.5638]
_cell_length_c [6.5638]
_c... |
mp-568170 | TbCl3 | data_[Tb2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.5103]
_cell_length_b [7.5103]
_cell_length_c [4.0289]
_cell_angle_alpha [90.0000]
_cell... |
mp-763255 | LiCoSiO4 | data_[Li2Co2Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.0882]
_cell_length_b [5.2150]... |
mp-28691 | TaTe4I | data_[Ta2Te8I2]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7531]
_cell_length_b [8.3608]
_cell_length_c [9.2178]
_cell_... |
mp-861595 | Pr2CdCu2 | data_[Pr8Cd4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5301]
_cell_length_b [7.4430]
_cell_length_c [7.6835]
_ce... |
mp-1224129 | InCuSnSe4 | data_[In2Cu2Sn2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.9002]
_cell_length_b [5.90... |
mp-1094853 | LiMg | data_[Li2Mg2]
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 [P-3m1]
_cell_length_a [3.1356]
_cell_length_b [3.1356]
_cell_length_c [10.1784]
_cell_angle_alpha [90.0000]
_cell... |
mp-867837 | BeCrRu2 | data_[Be4Cr4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cr 1.6600 1.4000 0.9400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7762]
_cell_length_b [5.7762]
_cell_length_c [5.7762]
_c... |
mp-974063 | HoScRu2 | data_[Ho4Sc4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6026]
_cell_length_b [6.6026]
_cell_length_c [6.6026]
_c... |
mp-865464 | PmSi3 | data_[Pm2Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0911]
_cell_length_b [6.0911]
_cell_length_c [4.7653]
_cell_angle_alpha [90.0000]
_ce... |
mp-1103880 | Tm3Ga9Pt2 | data_[Tm6Ga18Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2160]
_cell_length_b [9.8911]
_cell_length_c [12.2264]
_... |
mp-30153 | BaMn3O6 | data_[Ba4Mn12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.2605]
_cell_length_b [4.0561]
_cell_length_c [5.7828]
_c... |
mp-559926 | PrMn4(CuO4)3 | data_[Pr2Mn8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.4645]
_cell_length_b [7.46... |
mp-1185089 | LaPrTl2 | data_[La4Pr4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9408]
_cell_length_b [7.9408]
_cell_length_c [7.9408]
_c... |
mp-4613 | Zr2SnC | data_[Zr4Sn2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3758]
_cell_length_b [3.3758]
_cell_length_c [14.7946]
... |
mp-3545 | CeMgSi2 | data_[Ce8Mg8Si16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.1904]
_cell_length_b [4.1904]
_cell_length_c [37.070... |
mp-1071272 | CeAl2BRu2 | data_[Ce1Al2B1Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2073]
_cell_length_b [4.2... |
mp-20033 | SnIr | data_[Sn2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0318]
_cell_length_b [4.0318]
_cell_length_c [5.6736]
_cell_angle_alpha [90.0000]
_ce... |
mp-1070498 | Rb2Te2Pt | data_[Rb4Te4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0704]
_cell_length_b [8.2221]
_cell_length_c [10.8443]
_c... |
mp-2801 | CeCu2 | data_[Ce4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.3961]
_cell_length_b [6.6427]
_cell_length_c [7.5356]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1183471 | CaAg3 | data_[Ca4Ag12]
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 [Fm-3m]
_cell_length_a [6.9868]
_cell_length_b [6.9868]
_cell_length_c [6.9868]
_cell_angle_alpha [90.0000]
_cell... |
mp-1094771 | MgCd3 | data_[Mg2Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5497]
_cell_length_b [4.5497]
_cell_length_c [8.5573]
_cell_angle_alpha [90.0000]
_cell... |
mp-4514 | NaNbO3 | data_[Na6Nb6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.5740]
_cell_length_b [5.5740]
_cell_length_c [14.0372]
_cel... |
mp-1183151 | AlZnCu2 | data_[Al4Zn4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9263]
_cell_length_b [5.9263]
_cell_length_c [5.9263]
_c... |
mp-768681 | Li2Cr3SnO8 | data_[Li6Cr9Sn3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0020]
_cell_length_b [6.00... |
mp-1225223 | EuBO3 | data_[Eu4B4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [8.9696]
_cell_length_b [6.9475]
_cell_length_c [4.1335]
_cell_... |
mp-1216832 | TiNb(BiO3)3 | data_[Ti2Nb2Bi6O18]
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
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8662]
_cell_length_b [3.86... |
mp-1542 | YB2 | data_[Y1B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.3014]
_cell_length_b [3.3014]
_cell_length_c [3.8540]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1281111 | Li2CrO2 | data_[Li8Cr4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.7352]
_cell_length_b [9.7658]
_cell_length_c [4.7301]
_cell... |
mp-1226765 | Ce4Sm | data_[Ce12Sm3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3909]
_cell_length_b [3.3909]
_cell_length_c [41.6799]
_cell_angle_alpha [90.0000]
_cell... |
mp-865764 | YbGdRh2 | data_[Yb4Gd4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Gd 1.2000 1.8000 1.0750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8018]
_cell_length_b [6.8018]
_cell_length_c [6.8018]
_c... |
mp-567822 | Sr3In11 | data_[Sr6In22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1053]
_cell_length_b [11.3213]
_cell_length_c [14.3209]
_cell_angle_alpha [90.0000]
_cel... |
mp-975368 | LiCa2Mg | data_[Li4Ca8Mg4]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9541]
_cell_length_b [7.9541]
_cell_length_c [7.9541]
_c... |
mp-19285 | Ba(FeO2)2 | data_[Ba2Fe4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.5047]
_cell_length_b [5.5047]
_cell_length_c [9.2448]
_ce... |
mp-1215652 | Zn4CdSe5 | data_[Zn12Cd3Se15]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1225]
_cell_length_b [4.1225]
_cell_length_c [50.8658]
_... |
mp-1183865 | CeEr3 | data_[Ce2Er6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1146]
_cell_length_b [7.1146]
_cell_length_c [5.6882]
_cell_angle_alpha [90.0000]
_ce... |
mp-28687 | U2Cu4As5 | data_[U4Cu8As10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9918]
_cell_length_b [3.9918]
_cell_length_c [24.3046]
_... |
mp-1405 | TbGe | data_[Tb4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3306]
_cell_length_b [10.7992]
_cell_length_c [3.9704]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215676 | YZnSi | data_[Y1Zn1Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1211]
_cell_length_b [4.1211]
_cell_length_c [4.0663]
_cel... |
mp-977410 | NbGaFe2 | data_[Nb4Ga4Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9355]
_cell_length_b [5.9355]
_cell_length_c [5.9355]
_c... |
mp-781505 | Ca3WO6 | data_[Ca18W6O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.4732]
_cell_length_b [9.4732]
_cell_length_c [11.1413]
_cell... |
mp-1218726 | Sr2NdCu3(PbO4)2 | data_[Sr2Nd1Cu3Pb2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a... |
mp-30452 | DyNiBi | data_[Dy4Ni4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4917]
_cell_length_b [6.4917]
_cell_length_c [6.4917]
_c... |
mp-754827 | Tm2TeO2 | data_[Tm2Te1O2]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8551]
_cell_length_b [3.8551]
_cell_length_c [7.1429]
_cel... |
mp-1184239 | ErScZn2 | data_[Er4Sc4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9065]
_cell_length_b [6.9065]
_cell_length_c [6.9065]
_c... |
mp-979924 | Dy3Y | data_[Dy6Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0256]
_cell_length_b [5.0256]
_cell_length_c [10.0824]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22906 | CsBr | data_[Cs1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3930]
_cell_length_b [4.3930]
_cell_length_c [4.3930]
_cell_angle_alpha [90.0000]
_cell_... |
mp-570117 | ErTlSe2 | data_[Er3Tl3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
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 [4.1601]
_cell_length_b [4.1601]
_cell_length_c [23.4111]
_c... |
mp-1072193 | ErOF | data_[Er6O6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7893]
_cell_length_b [3.7893]
_cell_length_c [18.9946]
_cell_... |
mp-1220508 | Nd2MnRhO6 | data_[Nd4Mn2Rh2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.8775
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5598]
_cell_length_b [5.... |
mp-567787 | LiInAg2 | data_[Li4In4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6592]
_cell_length_b [6.6592]
_cell_length_c [6.6592]
_c... |
mp-1104319 | Lu(Al2Cr)4 | data_[Lu2Al16Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.8617]
_cell_length_b [8.8617]
_cell_length_c [5.0650]
... |
mp-1102348 | NbRh | data_[Nb6Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.8910]
_cell_length_b [2.8630]
_cell_length_c [4.8733]
_cell_angle_alpha [90.0000]
_cell_... |
mp-2789 | NO2 | data_[N12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.2010]
_cell_length_b [8.2010]
_cell_length_c [8.2010]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-23183 | NdCl3 | data_[Nd2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.5358]
_cell_length_b [7.5358]
_cell_length_c [4.2595]
_cell_angle_alpha [90.0000]
_cell... |
mp-1216513 | V9Ga4Fe3 | data_[V9Ga4Fe3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7003]
_cell_length_b [4.6650]
_cell_length_c [9.4158]
_cell_a... |
mp-1206523 | Rb2MnF4 | data_[Rb4Mn2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3220]
_cell_length_b [4.3220]
_cell_length_c [14.0843]
_c... |
mp-866221 | HfSnRh2 | data_[Hf4Sn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5097]
_cell_length_b [6.5097]
_cell_length_c [6.5097]
_c... |
mp-1027547 | TeMo2Se2S | data_[Te2Mo4Se4S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3450]
_cell_length_b [3.345... |
mp-865681 | TiSiRu2 | data_[Ti4Si4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0068]
_cell_length_b [6.0068]
_cell_length_c [6.0068]
_c... |
mvc-14195 | MgSnF4 | data_[Mg4Sn4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.1622]
_cell_length_b [5.5314]
_cell_length_c [5.0848]
_cell... |
mp-1189498 | Nd7Rh3 | data_[Nd14Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.1738]
_cell_length_b [10.1738]
_cell_length_c [6.3227]
_cell_angle_alpha [90.0000]
_c... |
mp-1215452 | ZnSnSb2 | data_[Zn1Sn1Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5633]
_cell_length_b [4.5633]
_cell_length_c [6.3040]
_c... |
mp-1214224 | BaYbCuTe3 | data_[Ba4Yb4Cu4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Yb 1.1000 1.7500 1.0840
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4278]
_cell_length_b [14... |
mp-28661 | Ba2Cu3P4 | data_[Ba8Cu12P16]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.3775]
_cell_length_b [12.4480]
_cell_length_c [6.2148]
_c... |
mp-9047 | RbBS3 | data_[Rb4B4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
B 2.0400 0.8500 0.4100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2574]
_cell_length_b [12.1034]
_cell_length_c [5.8779]
_ce... |
mp-554243 | SiO2 | data_[Si6O12]
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 [P6_522]
_cell_length_a [7.3628]
_cell_length_b [7.3628]
_cell_length_c [7.0510]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1218338 | SrCu4Ag | data_[Sr2Cu8Ag2]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0223]
_cell_length_b [9.8867]
_cell_length_c [4.1783]
_ce... |
mp-1215289 | ZrTa(SiRu)2 | data_[Zr3Ta3Si6Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
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 [Pm]
_cell_length_a [6.5647]
_cell_length_b [3.771... |
mp-1226621 | CeGa3Ag | data_[Ce2Ga6Ag2]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.3458]
_cell_length_b [4.3458]
_cell_length_c [10.8246]
_... |
mp-30181 | PrAl3Ni2 | data_[Pr1Al3Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3716]
_cell_length_b [5.3716]
_cell_length_c [4.0171]
_... |
mp-13914 | LiCo2Ge | data_[Li4Co8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6107]
_cell_length_b [5.6107]
_cell_length_c [5.6107]
_c... |
mp-21085 | PuPd3 | data_[Pu1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1538]
_cell_length_b [4.1538]
_cell_length_c [4.1538]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1106401 | Ce5AgPb3 | data_[Ce10Ag2Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.7089]
_cell_length_b [9.7089]
_cell_length_c [6.6202... |
mp-1211440 | K2PbCl6 | data_[K4Pb2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3456]
_cell_length_b [7.3537]
_cell_length_c [12.7029]
_... |
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