Material_ID stringlengths 11 15 | Reduced_Formula stringlengths 1 13 | CIF stringlengths 757 1.4k |
|---|---|---|
Generated_24715 | Rb | data_[Rb8]
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 [Pnma]
_cell_length_a [12.4330]
_cell_length_b [5.6002]
_cell_length_c [11.2220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_37545 | 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 [Cmcm]
_cell_length_a [9.9577]
_cell_length_b [12.8230]
_cell_length_c [7.9545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_4490 | 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 [6.9071]
_cell_length_b [6.9071]
_cell_length_c [6.9071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_35742 | Cs | data_[Cs4]
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 [P6_3/mmc]
_cell_length_a [6.8640]
_cell_length_b [6.8640]
_cell_length_c [8.4828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_27970 | Nd5CuPb3 | data_[Nd10Cu2Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.2963]
_cell_length_b [9.2963]
_cell_length_c [6.1659... |
Generated_12361 | 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 [3.4574]
_cell_length_b [3.4574]
_cell_length_c [5.4152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_2446 | 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 [P6_3/mmc]
_cell_length_a [3.5132]
_cell_length_b [3.5132]
_cell_length_c [11.2578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_17813 | 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 [3.5170]
_cell_length_b [3.5170]
_cell_length_c [5.0604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_18857 | Tm | data_[Tm2]
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 [P6_3/mmc]
_cell_length_a [3.5873]
_cell_length_b [3.5873]
_cell_length_c [5.2340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_11572 | Ho | data_[Ho3]
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 [R-3m]
_cell_length_a [3.5906]
_cell_length_b [3.5906]
_cell_length_c [14.6797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_37886 | 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 [Im-3m]
_cell_length_a [4.7618]
_cell_length_b [4.7618]
_cell_length_c [4.7618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_10561 | Sm5Sn3 | data_[Sm10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6858]
_cell_length_b [9.6858]
_cell_length_c [6.5081]
_cell_angle_alpha [90.0000]
_c... |
Generated_34570 | 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 [Fm-3m]
_cell_length_a [5.1252]
_cell_length_b [5.1252]
_cell_length_c [5.1252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_21984 | 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 [4.9021]
_cell_length_b [4.9021]
_cell_length_c [4.9021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_38995 | Zr | data_[Zr2]
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 [Im-3m]
_cell_length_a [3.0886]
_cell_length_b [3.0886]
_cell_length_c [3.0886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_29388 | 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 [P6_3/mmc]
_cell_length_a [6.5564]
_cell_length_b [6.5564]
_cell_length_c [10.0340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... |
Generated_28433 | 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 [P6_3/mmc]
_cell_length_a [3.9030]
_cell_length_b [3.9030]
_cell_length_c [13.8709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_15046 | Rb | data_[Rb8]
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 [Pnma]
_cell_length_a [12.5329]
_cell_length_b [5.1755]
_cell_length_c [11.0842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_15617 | Cs | data_[Cs4]
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 [P6_3/mmc]
_cell_length_a [6.5805]
_cell_length_b [6.5805]
_cell_length_c [9.1875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_16611 | 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 [3.6443]
_cell_length_b [3.6443]
_cell_length_c [12.4430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_4290 | 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 [P6_3/mmc]
_cell_length_a [5.7961]
_cell_length_b [5.7961]
_cell_length_c [13.2783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_2939 | Cs2YCuF6 | data_[Cs8Y4Cu4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.9045]
_cell_length_b [9.904... |
Generated_5372 | Tb | data_[Tb2]
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 [P6_3/mmc]
_cell_length_a [3.5318]
_cell_length_b [3.5318]
_cell_length_c [5.9761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_18881 | 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 [3.0613]
_cell_length_b [3.0613]
_cell_length_c [5.6828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_36922 | Mg2Zn | data_[Mg8Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2197]
_cell_length_b [16.6308]
_cell_length_c [5.5223]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_2406 | Ba2LaNbO6 | data_[Ba4La2Nb2O12]
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
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3234]
_cell_length_b [6.0... |
Generated_27839 | 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 [P6_3/mmc]
_cell_length_a [3.8346]
_cell_length_b [3.8346]
_cell_length_c [12.0435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_21823 | 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 [6.0562]
_cell_length_b [6.0562]
_cell_length_c [6.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_26925 | 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 [3.2486]
_cell_length_b [3.2486]
_cell_length_c [5.4014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_33389 | 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 [Fm-3m]
_cell_length_a [9.4283]
_cell_length_b [9.4283]
_cell_length_c [9.4283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
Generated_21128 | 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 [12.6213]
_cell_length_b [5.6624]
_cell_length_c [11.7885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
Generated_14341 | Rb | data_[Rb2]
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 [P6_3/mmc]
_cell_length_a [6.5167]
_cell_length_b [6.5167]
_cell_length_c [4.5080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_15583 | 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 [5.4092]
_cell_length_b [5.4092]
_cell_length_c [5.4092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_8854 | SrCu2 | data_[Sr2Cu4]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3980]
_cell_length_b [4.3980]
_cell_length_c [9.7239]
_cell_angle_alpha [90.0000]
_cell... |
Generated_29188 | 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 [3.5727]
_cell_length_b [3.5727]
_cell_length_c [6.4543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_16218 | 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 [3.4007]
_cell_length_b [3.4007]
_cell_length_c [5.6606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_8041 | 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 [Fm-3m]
_cell_length_a [5.3283]
_cell_length_b [5.3283]
_cell_length_c [5.3283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_43366 | DyCo5 | data_[Dy1Co5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8177]
_cell_length_b [4.8177]
_cell_length_c [3.9402]
_cell_angle_alpha [90.0000]
_cell... |
Generated_6472 | MgAl | data_[Mg1Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7505]
_cell_length_b [3.7505]
_cell_length_c [3.7505]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_16449 | ZrFe | data_[Zr4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3306]
_cell_length_b [11.1826]
_cell_length_c [3.7155]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_42420 | 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 [5.1634]
_cell_length_b [5.1634]
_cell_length_c [5.1634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_37746 | 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 [3.7333]
_cell_length_b [3.7333]
_cell_length_c [6.8211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_4973 | Rb2InAgCl6 | data_[Rb8In4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.6169]
_cell_length_b [... |
Generated_10979 | 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 [P6_3/mmc]
_cell_length_a [3.6429]
_cell_length_b [3.6429]
_cell_length_c [11.9187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_14037 | Eu | data_[Eu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.0401]
_cell_length_b [5.0401]
_cell_length_c [5.0401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_44006 | Gd | data_[Gd4]
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 [P6_3/mmc]
_cell_length_a [3.7369]
_cell_length_b [3.7369]
_cell_length_c [11.5791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_553 | 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 [P6_3/mmc]
_cell_length_a [3.6715]
_cell_length_b [3.6715]
_cell_length_c [11.7187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_35177 | Li2CuO2 | data_[Li8Cu4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.5747]
_cell_length_b [5.5892]
_cell_length_c [5.3361]
_cell_a... |
Generated_28729 | BaMnWO6 | data_[Ba2Mn2W2O12]
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 0.6483
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.7609]
_cell_length_b [5.8301]
... |
Generated_35767 | 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 [3.4801]
_cell_length_b [3.4801]
_cell_length_c [5.0122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_25273 | TmNi | data_[Tm4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6918]
_cell_length_b [10.2088]
_cell_length_c [3.8276]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_2803 | 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 [3.4546]
_cell_length_b [3.4546]
_cell_length_c [5.4273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_38749 | K2NaBi | data_[K8Na4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3015]
_cell_length_b [8.3015]
_cell_length_c [8.3015]
_cel... |
Generated_40634 | Er2Al | data_[Er8Al4]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5952]
_cell_length_b [5.1433]
_cell_length_c [9.1282]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_1897 | ErAl3 | data_[Er4Al16]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.4934]
_cell_length_b [7.0060]
_cell_length_c [12.3925]
_cell_angle_alpha [90.0000]
_cell... |
Generated_11300 | Cs | data_[Cs4]
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 [P6_3/mmc]
_cell_length_a [6.7147]
_cell_length_b [6.7147]
_cell_length_c [10.8668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_21430 | 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 [8.8588]
_cell_length_b [8.8... |
Generated_9485 | 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 [3.4876]
_cell_length_b [3.4876]
_cell_length_c [13.2251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_31612 | 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 [5.1015]
_cell_length_b [5.1015]
_cell_length_c [5.1015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_10834 | 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 [Fm-3m]
_cell_length_a [10.9285]
_cell_length_b [10.9285]
_cell_length_c [10.9285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... |
Generated_22330 | 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 [4.9378]
_cell_length_b [4.9378]
_cell_length_c [4.9378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_39428 | 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 [P6_3/mmc]
_cell_length_a [3.4317]
_cell_length_b [3.4317]
_cell_length_c [12.8400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_32333 | YCd | data_[Y3Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8269]
_cell_length_b [3.8269]
_cell_length_c [16.9206]
_cell_angle_alpha [90.0000]
_cell_an... |
Generated_38130 | K2NaNdF6 | data_[K8Na4Nd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4310]
_cell_length_b [8.431... |
Generated_9901 | 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 [3.1739]
_cell_length_b [10.4791]
_cell_length_c [4.5164]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_6204 | 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 [4.7883]
_cell_length_b [4.7883]
_cell_length_c [4.7883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_38818 | K2LiNdI6 | data_[K8Li4Nd4I24]
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
Nd 1.1400 1.8500 1.2765
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2925]
_cell_length_b [12.2... |
Generated_11650 | Cs2NaYCl6 | data_[Cs8Na4Y4Cl24]
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
Y 1.2200 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0752]
_cell_length_b [10... |
Generated_2409 | Rb | data_[Rb12]
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 [10.4567]
_cell_length_b [10.4567]
_cell_length_c [10.4567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_16517 | DyAl | data_[Dy4Al4]
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 [Cmcm]
_cell_length_a [3.8187]
_cell_length_b [11.2941]
_cell_length_c [4.2584]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_2018 | 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 [P6_3/mmc]
_cell_length_a [3.0020]
_cell_length_b [3.0020]
_cell_length_c [11.5657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_25665 | Mg | data_[Mg8]
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 [C2/m]
_cell_length_a [12.9575]
_cell_length_b [3.0472]
_cell_length_c [7.3997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4918]
_cell_angl... |
Generated_22939 | 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 [P6_3/mmc]
_cell_length_a [3.0775]
_cell_length_b [3.0775]
_cell_length_c [11.6139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_3581 | SrCu | data_[Sr1Cu1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8914]
_cell_length_b [3.8914]
_cell_length_c [3.8914]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_42396 | 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 [3.7707]
_cell_length_b [3.7707]
_cell_length_c [5.6071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_38257 | 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 [5.3425]
_cell_length_b [5.3425]
_cell_length_c [5.3425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_6137 | 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 [P6_3/mmc]
_cell_length_a [4.0366]
_cell_length_b [4.0366]
_cell_length_c [13.5174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_22282 | Ce | data_[Ce2]
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 [3.4285]
_cell_length_b [3.4285]
_cell_length_c [5.9439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_30371 | La3Al2 | data_[La12Al8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4179]
_cell_length_b [9.6764]
_cell_length_c [6.0496]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_41358 | Sr2Zn | data_[Sr8Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0568]
_cell_length_b [4.2680]
_cell_length_c [10.4205]
_cell_angle_alpha [90.0000]
_cell... |
Generated_38715 | 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 [6.2844]
_cell_length_b [6.2844]
_cell_length_c [6.2844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_28346 | Ba | data_[Ba12]
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 [Pnma]
_cell_length_a [9.6770]
_cell_length_b [5.6135]
_cell_length_c [10.8375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_22728 | MgZn | data_[Mg1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.2059]
_cell_length_b [3.2059]
_cell_length_c [3.2059]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_22116 | LiVF3 | data_[Li4V4F12]
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 [P2_1/c]
_cell_length_a [5.0652]
_cell_length_b [5.3541]
_cell_length_c [9.3228]
_cel... |
Generated_24738 | 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 [3.6705]
_cell_length_b [3.6705]
_cell_length_c [5.8880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_31056 | 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 [P6_3/mmc]
_cell_length_a [3.5210]
_cell_length_b [3.5210]
_cell_length_c [12.6613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_26349 | Sm2Mg | data_[Sm8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5704]
_cell_length_b [3.9245]
_cell_length_c [7.6001]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_43158 | La2Tl | data_[La8Tl4]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8585]
_cell_length_b [5.6119]
_cell_length_c [9.6074]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_7779 | 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 [5.0405]
_cell_length_b [5.0405]
_cell_length_c [5.0405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_13459 | Ti2Cr | data_[Ti4Cr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5958]
_cell_length_b [3.5958]
_cell_length_c [8.8512]
_cell_angle_alpha [90.0000]
_cell... |
Generated_5716 | 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 [5.0568]
_cell_length_b [5.0568]
_cell_length_c [5.0568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_38545 | 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 [P6_3/mmc]
_cell_length_a [3.3754]
_cell_length_b [3.3754]
_cell_length_c [12.2963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_28739 | ZrCd | data_[Zr1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6794]
_cell_length_b [3.6794]
_cell_length_c [5.6843]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_43841 | YSi2 | data_[Y8Si16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.4466]
_cell_length_b [7.4466]
_cell_length_c [7.4466]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_22816 | Ce | data_[Ce16]
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 [Fd-3m]
_cell_length_a [9.3729]
_cell_length_b [9.3729]
_cell_length_c [9.3729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_40782 | Cs2KErBr6 | data_[Cs8K4Er4Br24]
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
Er 1.2400 1.7500 1.0300
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4559]
_cell_length_b [11... |
Generated_43137 | Ti5Sb3 | data_[Ti10Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.8501]
_cell_length_b [8.8501]
_cell_length_c [5.3632]
_cell_angle_alpha [90.0000]
_c... |
Generated_17665 | 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 [5.6415]
_cell_length_b [5.6415]
_cell_length_c [5.6415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_27168 | GdAl | data_[Gd2Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.0359]
_cell_length_b [3.6439]
_cell_length_c [5.0816]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_40843 | ErAl2 | data_[Er1Al2]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9618]
_cell_length_b [4.9618]
_cell_length_c [3.7562]
_cell_angle_alpha [90.0000]
_cell... |
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