Material_ID stringlengths 11 15 | Reduced_Formula stringlengths 1 13 | CIF stringlengths 757 1.39k |
|---|---|---|
Generated_32684 | Cs | data_[Cs8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.4659]
_cell_length_b [6.7411]
_cell_length_c [10.7444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_22008 | La | data_[La12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.8202]
_cell_length_b [4.4783]
_cell_length_c [12.3963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... |
Generated_28734 | 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 [Fm-3m]
_cell_length_a [4.2710]
_cell_length_b [4.2710]
_cell_length_c [4.2710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_27242 | Li2FeS2 | data_[Li4Fe2S4]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5665]
_cell_length_b [3.5665]
_cell_length_c [12.7057]
_c... |
Generated_44726 | Nd | data_[Nd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5329]
_cell_length_b [3.5329]
_cell_length_c [12.6963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_14025 | Ce5Sb3 | data_[Ce10Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.1034]
_cell_length_b [9.1034]
_cell_length_c [6.1554]
_cell_angle_alpha [90.0000]
_c... |
Generated_21693 | Ba | data_[Ba4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2421]
_cell_length_b [5.2421]
_cell_length_c [11.4064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_935 | La | data_[La2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.8149]
_cell_length_b [3.8149]
_cell_length_c [6.1402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_44901 | Yb | data_[Yb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.8197]
_cell_length_b [3.8197]
_cell_length_c [5.4367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_9117 | Y5Sn3 | data_[Y10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.8467]
_cell_length_b [9.8467]
_cell_length_c [6.2963]
_cell_angle_alpha [90.0000]
_cel... |
Generated_15938 | K | data_[K4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3919]
_cell_length_b [7.3919]
_cell_length_c [7.3919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_3958 | Er | data_[Er2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5384]
_cell_length_b [3.5384]
_cell_length_c [5.2684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_32379 | Ti | data_[Ti16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.5196]
_cell_length_b [6.5196]
_cell_length_c [6.5196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_8918 | Er | data_[Er4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [3.5496]
_cell_length_b [3.5496]
_cell_length_c [3.5496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_22818 | La | data_[La4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0775]
_cell_length_b [5.0775]
_cell_length_c [5.0775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_39756 | Er | data_[Er3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5190]
_cell_length_b [3.5190]
_cell_length_c [12.9143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_29747 | Li2Mn | data_[Li4Mn2]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.9077]
_cell_length_b [2.9077]
_cell_length_c [8.1198]
_cell_angle_alpha [90.0000]
_cell... |
Generated_9078 | K | data_[K12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.5405]
_cell_length_b [4.7216]
_cell_length_c [10.2187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_15028 | La | data_[La2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5271]
_cell_length_b [3.5271]
_cell_length_c [6.8017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_6615 | Ce | data_[Ce4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4429]
_cell_length_b [3.4429]
_cell_length_c [12.8999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_41418 | Li2Mg | data_[Li4Mg2]
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 [3.0013]
_cell_length_b [3.0013]
_cell_length_c [9.0196]
_cell_angle_alpha [90.0000]
_cell... |
Generated_41859 | Li | data_[Li2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [3.2271]
_cell_length_b [3.2271]
_cell_length_c [3.2271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_30379 | Ba | data_[Ba4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0196]
_cell_length_b [6.0196]
_cell_length_c [9.6512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_41107 | Li2MnF6 | data_[Li4Mn2F12]
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 [P4_2/mnm]
_cell_length_a [4.7199]
_cell_length_b [4.7199]
_cell_length_c [9.2718]
... |
Generated_24345 | TiCu | data_[Ti4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9922]
_cell_length_b [8.1330]
_cell_length_c [3.3947]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_5967 | BaAl | data_[Ba8Al8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5215]
_cell_length_b [5.7080]
_cell_length_c [10.9464]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_23858 | Dy | data_[Dy4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6564]
_cell_length_b [3.6564]
_cell_length_c [13.3340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_41122 | Na | data_[Na4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7734]
_cell_length_b [5.7734]
_cell_length_c [5.7734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_44461 | Na | data_[Na2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3351]
_cell_length_b [3.3351]
_cell_length_c [5.8311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_13840 | Ca | data_[Ca4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4267]
_cell_length_b [5.4267]
_cell_length_c [5.4267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_18143 | Cs | data_[Cs8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.6235]
_cell_length_b [6.4804]
_cell_length_c [10.8413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_8061 | Nd | data_[Nd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.8879]
_cell_length_b [3.8879]
_cell_length_c [6.2188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_18084 | Rb | data_[Rb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0410]
_cell_length_b [6.0410]
_cell_length_c [6.0410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_29314 | Pr | data_[Pr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4266]
_cell_length_b [3.4266]
_cell_length_c [5.3507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_11835 | Ho | data_[Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4445]
_cell_length_b [3.4445]
_cell_length_c [5.6893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_9274 | Ho | data_[Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4639]
_cell_length_b [3.4639]
_cell_length_c [5.4207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_8844 | Tb | data_[Tb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.8044]
_cell_length_b [4.8044]
_cell_length_c [4.8044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_847 | Cs | data_[Cs12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0408]
_cell_length_b [10.0408]
_cell_length_c [10.0408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_40235 | Cs2InAgF6 | data_[Cs8In4Ag4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.9332]
_cell_length_b [9.9... |
Generated_28640 | Cs | data_[Cs8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.8112]
_cell_length_b [7.8112]
_cell_length_c [11.3914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... |
Generated_36403 | Zr | data_[Zr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.8005]
_cell_length_b [4.8005]
_cell_length_c [4.8005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_5983 | Sr | data_[Sr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0425]
_cell_length_b [4.0425]
_cell_length_c [8.1469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_6954 | Cs2NaPrCl6 | data_[Cs8Na4Pr4Cl24]
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
Pr 1.1300 1.8500 1.0600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0829]
_cell_length_b [... |
Generated_7335 | Nd | data_[Nd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5519]
_cell_length_b [3.5519]
_cell_length_c [5.1318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_44325 | Ce | data_[Ce4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.1659]
_cell_length_b [5.1659]
_cell_length_c [5.1659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_40049 | Zr | data_[Zr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5093]
_cell_length_b [3.5093]
_cell_length_c [12.9409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_1563 | Y | data_[Y2]
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 [3.6555]
_cell_length_b [3.6555]
_cell_length_c [5.1340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_24941 | Li5V2O8 | data_[Li6V2O10]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2195]
_cell_length_b [5.3119]
_cell_length_c [7.0074]
_cell_a... |
Generated_4492 | Na | data_[Na8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0696]
_cell_length_b [4.7808]
_cell_length_c [9.0981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4658]
_cell_angl... |
Generated_44296 | La | data_[La2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5021]
_cell_length_b [3.5021]
_cell_length_c [6.5528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_3655 | Yb | data_[Yb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4713]
_cell_length_b [3.4713]
_cell_length_c [19.2881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_35771 | Ca | data_[Ca2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3323]
_cell_length_b [3.3323]
_cell_length_c [5.5531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_31519 | ErZn | data_[Er1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6849]
_cell_length_b [3.6849]
_cell_length_c [3.6849]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_23088 | Cs | data_[Cs8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.8888]
_cell_length_b [5.6909]
_cell_length_c [10.4188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_39658 | Li3VCoO6 | data_[Li6V2Co2O12]
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 [C2/m]
_cell_length_a [10.2764]
_cell_length_b [2.818... |
Generated_8364 | Y | data_[Y3]
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 [R-3m]
_cell_length_a [3.5971]
_cell_length_b [3.5971]
_cell_length_c [16.7362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_1844 | ErNi5 | data_[Er1Ni5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9901]
_cell_length_b [4.9901]
_cell_length_c [3.9531]
_cell_angle_alpha [90.0000]
_cell... |
Generated_40937 | Y | data_[Y2]
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 [3.6548]
_cell_length_b [3.6548]
_cell_length_c [5.5905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_22827 | La | data_[La4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2187]
_cell_length_b [5.2187]
_cell_length_c [5.2187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_11061 | Dy | data_[Dy4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0996]
_cell_length_b [5.0996]
_cell_length_c [5.0996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_34684 | Sr | data_[Sr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3023]
_cell_length_b [6.3023]
_cell_length_c [6.3023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_19743 | Ba | data_[Ba4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.6278]
_cell_length_b [6.6278]
_cell_length_c [9.4952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_11591 | Sm | data_[Sm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6390]
_cell_length_b [3.6390]
_cell_length_c [12.6420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_30809 | DyNi5 | data_[Dy1Ni5]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9718]
_cell_length_b [4.9718]
_cell_length_c [3.8911]
_cell_angle_alpha [90.0000]
_cell... |
Generated_13512 | Li2TiO4 | data_[Li8Ti4O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8748]
_cell_length_b [5.8806]
_cell_length_c [8.5678]
_cel... |
Generated_12367 | Ho | data_[Ho4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.7757]
_cell_length_b [4.7757]
_cell_length_c [4.7757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_14566 | Sm | data_[Sm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0109]
_cell_length_b [5.0109]
_cell_length_c [5.0109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_9316 | Cs2NaNdCl6 | data_[Cs8Na4Nd4Cl24]
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
Nd 1.1400 1.8500 1.2765
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8464]
_cell_length_b [... |
Generated_25750 | Mg | data_[Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.7082]
_cell_length_b [4.7082]
_cell_length_c [4.7082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_36566 | Ca | data_[Ca8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5521]
_cell_length_b [3.5521]
_cell_length_c [12.8165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... |
Generated_15059 | Er | data_[Er2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6956]
_cell_length_b [3.6956]
_cell_length_c [5.1981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_2720 | LiTl2 | data_[Li4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9468]
_cell_length_b [3.6413]
_cell_length_c [7.6702]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_12925 | Pr | data_[Pr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4697]
_cell_length_b [3.4697]
_cell_length_c [5.8706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_72 | Cs2NaHoCl6 | data_[Cs8Na4Ho4Cl24]
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
Ho 1.2300 1.7500 1.0410
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8480]
_cell_length_b [... |
Generated_43497 | Na | data_[Na2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3043]
_cell_length_b [3.3043]
_cell_length_c [5.5974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_24260 | K | data_[K4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1467]
_cell_length_b [6.1467]
_cell_length_c [6.1467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_31347 | Li | data_[Li3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7251]
_cell_length_b [2.7251]
_cell_length_c [13.2351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_38897 | Y | data_[Y2]
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 [3.6201]
_cell_length_b [3.6201]
_cell_length_c [5.2094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_260 | Gd | data_[Gd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0951]
_cell_length_b [4.7275]
_cell_length_c [10.7595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... |
Generated_43579 | Zr | data_[Zr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4361]
_cell_length_b [3.1945]
_cell_length_c [7.5304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4043]
_cell_angl... |
Generated_35483 | Sr | data_[Sr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4036]
_cell_length_b [6.4036]
_cell_length_c [6.4036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_36240 | K | data_[K8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5137]
_cell_length_b [4.2639]
_cell_length_c [10.7326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
Generated_23574 | TbAl2 | data_[Tb8Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.3766]
_cell_length_b [7.3766]
_cell_length_c [7.3766]
_cell_angle_alpha [90.0000]
_cell... |
Generated_15760 | Sr | data_[Sr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9360]
_cell_length_b [4.5423]
_cell_length_c [10.0721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2603]
_cell_ang... |
Generated_44936 | Sr | data_[Sr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0043]
_cell_length_b [5.0043]
_cell_length_c [8.6113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_20437 | Ce | data_[Ce4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5976]
_cell_length_b [3.5976]
_cell_length_c [12.6951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_30606 | Cs | data_[Cs8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5001]
_cell_length_b [4.2895]
_cell_length_c [11.4245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_27022 | Dy2Al | data_[Dy8Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8530]
_cell_length_b [5.6292]
_cell_length_c [9.4763]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_21116 | Na | data_[Na4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.1707]
_cell_length_b [5.1707]
_cell_length_c [5.1707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_18503 | Pr | data_[Pr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.7018]
_cell_length_b [3.7018]
_cell_length_c [6.0151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_26649 | Ti | data_[Ti2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [3.6028]
_cell_length_b [3.6028]
_cell_length_c [3.6028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_8572 | Er | data_[Er4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4641]
_cell_length_b [3.4641]
_cell_length_c [11.1400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_22766 | Ce | data_[Ce4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5019]
_cell_length_b [3.5019]
_cell_length_c [12.9903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_37778 | Rb2NaDyCl6 | data_[Rb8Na4Dy4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Dy 1.2200 1.7500 1.1310
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4283]
_cell_length_b [... |
Generated_11809 | 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 [Fm-3m]
_cell_length_a [4.8692]
_cell_length_b [4.8692]
_cell_length_c [4.8692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_8113 | Li | data_[Li2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [3.0290]
_cell_length_b [3.0290]
_cell_length_c [3.0290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_28586 | Mg | data_[Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3801]
_cell_length_b [3.3801]
_cell_length_c [13.2808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_36127 | Dy | data_[Dy4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [3.4208]
_cell_length_b [3.4208]
_cell_length_c [3.4208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_18693 | LiZn | data_[Li4Zn4]
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 [Cmcm]
_cell_length_a [2.7394]
_cell_length_b [8.6706]
_cell_length_c [4.2225]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_18201 | Dy | data_[Dy4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.6883]
_cell_length_b [4.6883]
_cell_length_c [4.6883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
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