Material_ID stringlengths 11 15 | Reduced_Formula stringlengths 1 16 | CIF stringlengths 757 1.57k |
|---|---|---|
Generated_38506 | Zr3Rh | data_[Zr12Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7680]
_cell_length_b [9.4169]
_cell_length_c [6.3312]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_25158 | Tm3Ga2 | data_[Tm12Ga8]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.1191]
_cell_length_b [7.1359]
_cell_length_c [4.1915]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_15310 | CeTlAg4 | data_[Ce2Tl2Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1042]
_cell_length_b [8.1042]
_cell_length_c [4.4656]
_... |
Generated_31572 | KScO2 | data_[K3Sc3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3881]
_cell_length_b [3.3881]
_cell_length_c [16.5606]
_cell_... |
Generated_18241 | Eu2Mg | data_[Eu8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.7459]
_cell_length_b [7.7047]
_cell_length_c [5.4783]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_32049 | Pr2AsS | data_[Pr2As1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0632]
_cell_length_b [4.0632]
_cell_length_c [5.8266]
_ce... |
Generated_38247 | Tm | data_[Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0453]
_cell_length_b [5.0453]
_cell_length_c [5.0453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_34191 | LaTlAu2 | data_[La4Tl4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4406]
_cell_length_b [7.4406]
_cell_length_c [7.4406]
_c... |
Generated_34053 | Ba2MgUO6 | data_[Ba8Mg4U4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6627]
_cell_length_b [8.662... |
Generated_31118 | SmLu3 | data_[Sm2Lu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2139]
_cell_length_b [7.2139]
_cell_length_c [5.7081]
_cell_angle_alpha [90.0000]
_ce... |
Generated_5201 | EuAl2 | data_[Eu4Al8]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.4388]
_cell_length_b [7.1586]
_cell_length_c [8.0970]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_24428 | LiEu2Al | data_[Li4Eu8Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8858]
_cell_length_b [7.8858]
_cell_length_c [7.8858]
_c... |
Generated_2755 | La(CuSi)2 | data_[La2Cu4Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1635]
_cell_length_b [4.1635]
_cell_length_c [10.3163]
... |
Generated_12019 | UCuSn | data_[U2Cu2Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.4706]
_cell_length_b [4.4706]
_cell_length_c [7.5549]
_ce... |
Generated_12803 | SrNiSb | data_[Sr2Ni2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4676]
_cell_length_b [4.4676]
_cell_length_c [9.5170]... |
Generated_29352 | Dy2CdPd2 | data_[Dy4Cd2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8047]
_cell_length_b [7.8047]
_cell_length_c [3.7145]
_... |
Generated_35552 | Yb2TlGe | data_[Yb8Tl4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4596]
_cell_length_b [7.4596]
_cell_length_c [7.4596]
_c... |
Generated_40303 | Ba6AlCu3 | data_[Ba12Al2Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.9178]
_cell_length_b [13.3699]
_cell_length_c [11.2697]
... |
Generated_34039 | TiMn2Al | data_[Ti4Mn8Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.6483
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9290]
_cell_length_b [5.9290]
_cell_length_c [5.9290]
_c... |
Generated_10404 | BaSrEuBiO6 | data_[Ba2Sr2Eu2Bi2O12]
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
Eu 1.2000 1.8500 1.1985
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
Generated_33855 | Er2Al3Fe | data_[Er6Al9Fe3]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4675]
_cell_length_b [5.4675]
_cell_length_c [13.9978]
_c... |
Generated_17787 | KRb2Hg | data_[K4Rb8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1291]
_cell_length_b [9.1291]
_cell_length_c [9.1291]
_cel... |
Generated_24684 | CsSrCeBiO6 | data_[Cs4Sr4Ce4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
Generated_42854 | Tm2Ga8Co | data_[Tm2Ga8Co1]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2550]
_cell_length_b [4.2550]
_cell_length_c [10.1614]
... |
Generated_44623 | YUTe6 | data_[Y2U2Te12]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3854]
_cell_length_b [4.3731]
_cell_length_c [25.0969]
_cell... |
Generated_22644 | Li2VCoO4 | data_[Li4V2Co2O8]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.8853]
_cell_length_b [5.9208]... |
Generated_11866 | Sm5Ru2 | data_[Sm20Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2627]
_cell_length_b [6.3868]
_cell_length_c [7.2714]
_cell_angle_alpha [90.0000]
_cell... |
Generated_13086 | Ca2SiGe | data_[Ca4Si2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1615]
_cell_length_b [4.0425]
_cell_length_c [10.2893]
_c... |
Generated_23770 | HfTiAl | data_[Hf1Ti1Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6579]
_cell_length_b [4.6579]
_cell_length_c [3.0375]
_c... |
Generated_17057 | K3BrO | data_[K6Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2522]
_cell_length_b [6.2522]
_cell_length_c [8.7244]
_ce... |
Generated_30912 | LaEr(CoO3)2 | data_[La2Er2Co4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8011]
_cell_length_b [5.... |
Generated_31307 | Zn2Cu | data_[Zn4Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.7801]
_cell_length_b [2.7801]
_cell_length_c [11.3720]
_cell_angle_alpha [90.0000]
_cel... |
Generated_19299 | TaZnCu4 | data_[Ta1Zn1Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.9421]
_cell_length_b [4.9421]
_cell_length_c [2.9330]
_c... |
Generated_44495 | PrNi2Sn | data_[Pr4Ni8Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6188]
_cell_length_b [6.6188]
_cell_length_c [6.6188]
_c... |
Generated_30704 | K2LiMoF6 | data_[K8Li4Mo4F24]
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
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4822]
_cell_length_b [8.482... |
Generated_23676 | BaSrHfNbO6 | data_[Ba4Sr4Hf4Nb4O24]
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
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
Generated_21904 | Yb3Pt4 | data_[Yb18Pt24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.3850]
_cell_length_b [13.3850]
_cell_length_c [5.6285]
_cell_angle_alpha [90.0000]
_cel... |
Generated_1011 | TiAg3 | data_[Ti2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5772]
_cell_length_b [3.5772]
_cell_length_c [9.3490]
_cell_angle_alpha [90.0000]
_cell... |
Generated_16809 | ZnAgHg2 | data_[Zn4Ag4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9637]
_cell_length_b [6.9637]
_cell_length_c [6.9637]
_c... |
Generated_34961 | LiTiFeO4 | data_[Li4Ti4Fe4O16]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.9496]
_cell_length_b [5.92... |
Generated_7594 | HfCrAgS3 | data_[Hf3Cr3Ag3S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6754]
_cell_length_b [3.675... |
Generated_40328 | Y | data_[Y4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6977]
_cell_length_b [3.6977]
_cell_length_c [9.6546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_17896 | LuBi | data_[Lu4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4030]
_cell_length_b [6.4030]
_cell_length_c [6.4030]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_586 | Ca2CoWO6 | data_[Ca4Co2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.5091]
_cell_length_b [5.6692... |
Generated_2916 | Y(CoB)2 | data_[Y2Co4B4]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5548]
_cell_length_b [3.5548]
_cell_length_c [9.5051]
_cell... |
Generated_13528 | Li2MnF6 | data_[Li8Mn4F24]
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 0.6483
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.4632]
_cell_length_b [5.7795]
_cell_length_c [8.3712]
_cell... |
Generated_35733 | TmAlCu2 | data_[Tm4Al4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4648]
_cell_length_b [6.4648]
_cell_length_c [6.4648]
_c... |
Generated_26387 | LiV2F6 | data_[Li4V8F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [13.1438]
_cell_length_b [5.5459]
_cell_length_c [5.1463]
_cell_a... |
Generated_31678 | Ca2TiCu(WO6)2 | data_[Ca2Ti1Cu1W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [... |
Generated_27886 | Tm2TlHg | data_[Tm8Tl4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3470]
_cell_length_b [7.3470]
_cell_length_c [7.3470]
_c... |
Generated_37655 | EuZnIn3 | data_[Eu2Zn2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.7790]
_cell_length_b [4.7790]
_cell_length_c [12.3311]
_c... |
Generated_28297 | KTl | data_[K1Tl1]
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 [Pm-3m]
_cell_length_a [4.3722]
_cell_length_b [4.3722]
_cell_length_c [4.3722]
_cell_angle_alpha [90.0000]
_cell_an... |
Generated_11846 | ScAlRh2 | data_[Sc4Al4Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2195]
_cell_length_b [6.2195]
_cell_length_c [6.2195]
_c... |
Generated_42401 | Sr2PrBiO6 | data_[Sr4Pr2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
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 [P2_1/c]
_cell_length_a [6.0763]
_cell_length_b [6.... |
Generated_24732 | Sm6Ni2Sn | data_[Sm24Ni8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.4271]
_cell_length_b [11.3181]
_cell_length_c [10.2300]
... |
Generated_26490 | SmSi2 | data_[Sm4Si8]
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
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.0795]
_cell_length_b [4.0795]
_cell_length_c [14.5074]
_cell_angle_alpha [90.0000]
_c... |
Generated_9403 | BaCa2Sb | data_[Ba4Ca8Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7288]
_cell_length_b [8.7288]
_cell_length_c [8.7288]
_c... |
Generated_28461 | PmTmRh2 | data_[Pm4Tm4Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8522]
_cell_length_b [6.8522]
_cell_length_c [6.8522]
_c... |
Generated_21796 | SmBi2ClO4 | data_[Sm1Bi2Cl1O4]
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
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9346]
_cell_length_b [3.9... |
Generated_8951 | Ho(VCr5)2 | data_[Ho2V4Cr20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6804]
_cell_length_b [8.4578]
_cell_length_c [8.4805]
_cel... |
Generated_19724 | TlI | data_[Tl2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6474]
_cell_length_b [4.6474]
_cell_length_c [8.5533]
_cell_angle_alpha [90.0000]
_cell... |
Generated_26834 | HoCdRh2 | data_[Ho4Cd4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7023]
_cell_length_b [6.7023]
_cell_length_c [6.7023]
_c... |
Generated_18873 | Ba2LaMoO6 | data_[Ba4La2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6801]
_cell_length_b [6.0... |
Generated_14802 | LiEu2WO6 | data_[Li4Eu8W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Eu 1.2000 1.8500 1.1985
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2159]
_cell_length_b [8.215... |
Generated_29850 | CaSc2O4 | data_[Ca4Sc8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.9389]
_cell_length_b [5.9389]
_cell_length_c [11.0244]
_... |
Generated_3718 | BaCaH4 | data_[Ba1Ca1H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4586]
_cell_length_b [4.4586]
_cell_length_c [5.4273]
_ce... |
Generated_13708 | Cs2NaIrCl6 | data_[Cs8Na4Ir4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Ir 2.2000 1.3500 0.7650
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8237]
_cell_length_b [... |
Generated_20893 | K3Tl | data_[K12Tl4]
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 [Fm-3m]
_cell_length_a [9.1775]
_cell_length_b [9.1775]
_cell_length_c [9.1775]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_19016 | Tm3In | data_[Tm6In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.7781]
_cell_length_b [6.7781]
_cell_length_c [5.5631]
_cell_angle_alpha [90.0000]
_ce... |
Generated_36307 | Li4MnCr3O8 | data_[Li8Mn2Cr6O16]
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 0.6483
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 [10.1441]
_cell_length_b [5.9... |
Generated_28743 | PrSe | data_[Pr4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0391]
_cell_length_b [6.0391]
_cell_length_c [6.0391]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_41721 | TiN | data_[Ti12N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8524]
_cell_length_b [7.6538]
_cell_length_c [6.0628]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_37231 | ScSiRh2 | data_[Sc4Si4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3888]
_cell_length_b [6.3888]
_cell_length_c [6.3888]
_c... |
Generated_14648 | EuZn3 | data_[Eu1Zn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1074]
_cell_length_b [4.1074]
_cell_length_c [4.1074]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_28519 | Cs2KGaI6 | data_[Cs8K4Ga4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.3563]
_cell_length_b [12.3... |
Generated_19186 | Rb2CuAs2 | data_[Rb2Cu1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0193]
_cell_length_b [4.0193]
_cell_length_c [9.4192]
_... |
Generated_37994 | TaAl2 | data_[Ta8Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.4847]
_cell_length_b [7.4847]
_cell_length_c [7.4847]
_cell_angle_alpha [90.0000]
_cell... |
Generated_35419 | SmTmZn2 | data_[Sm4Tm4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2739]
_cell_length_b [7.2739]
_cell_length_c [7.2739]
_c... |
Generated_28582 | Li2CuF4 | data_[Li2Cu1F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.1897]
_cell_length_b [3.0218]
_cell_length_c [5.1240]
_cell... |
Generated_38173 | LiNdTi2O6 | data_[Li2Nd2Ti4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5280]
_cell_length_b [7.8294... |
Generated_3847 | YbCu2 | data_[Yb4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0905]
_cell_length_b [5.0905]
_cell_length_c [8.2574]
_cell_angle_alpha [90.0000]
_ce... |
Generated_23805 | LiGeB2 | data_[Li2Ge2B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.0635]
_cell_length_b [5.2495]
_cell_length_c [5.1288]
_ce... |
Generated_3581 | BaCeEuSbO6 | data_[Ba4Eu4Ce4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
Eu 1.2000 1.8500 1.1985
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
Generated_34194 | BaSrLa(FeO3)2 | data_[Ba1Sr1La1Fe2O6]
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
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a ... |
Generated_39957 | GdAgTe2 | data_[Gd2Ag2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [7.4879]
_cell_length_b [7.4879]
_cell_length_c [4.7591]
... |
Generated_13108 | Sr3Ta2InO12 | data_[Sr6Ta4In2O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ta 1.5000 1.4500 0.8200
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.6396]
_cell_length_b [5.63... |
Generated_31616 | TlCo3O4 | data_[Tl1Co3O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5568]
_cell_length_b [3.5325]
_cell_length_c [11.2557]
_cell... |
Generated_32218 | Tm(Fe2Ge)2 | data_[Tm2Fe8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.0330]
_cell_length_b [7.0893]
_cell_length_c [3.8941]
_ce... |
Generated_5327 | Li3CeS4 | data_[Li3Ce1S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [6.5042]
_cell_length_b [6.5042]
_cell_length_c [6.5042]
_cel... |
Generated_34305 | ScCd2 | data_[Sc1Cd2]
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 [P6/mmm]
_cell_length_a [4.9083]
_cell_length_b [4.9083]
_cell_length_c [3.0417]
_cell_angle_alpha [90.0000]
_cell... |
Generated_7578 | Pr(GeRh)2 | data_[Pr2Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2353]
_cell_length_b [4.2353]
_cell_length_c [10.0293]
... |
Generated_9267 | ZrAgS2 | data_[Zr4Ag4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4669]
_cell_length_b [3.7513]
_cell_length_c [14.6507]
_cel... |
Generated_1997 | Dy3S4 | data_[Dy6S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.4014]
_cell_length_b [10.7193]
_cell_length_c [3.9172]
_cell_angle_alpha [90.0000]
_cell_an... |
Generated_11375 | K3NiF6 | data_[K12Ni4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6790]
_cell_length_b [8.6790]
_cell_length_c [8.6790]
_cel... |
Generated_6001 | MgSn2 | data_[Mg4Sn8]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4968]
_cell_length_b [16.7581]
_cell_length_c [5.4257]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_17204 | Ti3Co3Sn4 | data_[Ti12Co12Sn16]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.4124]
_cell_length_b [9.4124]
_cell_length_c [9.4124]... |
Generated_23759 | Sr2NiWO6 | data_[Sr8Ni4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9356]
_cell_length_b [7.935... |
Generated_19055 | Nd2InNi2 | data_[Nd4In2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9449]
_cell_length_b [14.0150]
_cell_length_c [3.8910]
_c... |
Generated_37344 | LaSi | data_[La4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0792]
_cell_length_b [10.7499]
_cell_length_c [4.0399]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_16045 | Na(Cu2O3)2 | data_[Na3Cu12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3685]
_cell_length_b [5.3685]
_cell_length_c [15.0903]
_ce... |
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