Material_ID stringlengths 11 15 | Reduced_Formula stringlengths 1 13 | CIF stringlengths 757 1.18k |
|---|---|---|
Generated_6700 | 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 [Cmce]
_cell_length_a [10.4472]
_cell_length_b [7.7529]
_cell_length_c [7.3650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_6712 | 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 [Cmce]
_cell_length_a [8.0296]
_cell_length_b [8.5908]
_cell_length_c [8.1566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_ga... |
Generated_12788 | Ti2Al | data_[Ti8Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.0932]
_cell_length_b [6.0932]
_cell_length_c [4.8256]
_cell_angle_alpha [90.0000]
_cell... |
Generated_43008 | 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 [4.7577]
_cell_length_b [4.7577]
_cell_length_c [8.2864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_22626 | 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 [3.7995]
_cell_length_b [3.7995]
_cell_length_c [11.6553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_24596 | 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 [5.4875]
_cell_length_b [5.4875]
_cell_length_c [11.8058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_41324 | 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 [3.5680]
_cell_length_b [3.5680]
_cell_length_c [5.5729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_8090 | 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 [3.7808]
_cell_length_b [3.7808]
_cell_length_c [5.5524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_21591 | 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 [3.6065]
_cell_length_b [3.6065]
_cell_length_c [5.8123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_22698 | Cs | data_[Cs2]
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 [5.4365]
_cell_length_b [5.4365]
_cell_length_c [9.7494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_5251 | 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 [3.6038]
_cell_length_b [3.6038]
_cell_length_c [5.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_6282 | Tb5Sn3 | data_[Tb10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6693]
_cell_length_b [9.6693]
_cell_length_c [6.4168]
_cell_angle_alpha [90.0000]
_c... |
Generated_15030 | Ti | data_[Ti4]
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 [Fm-3m]
_cell_length_a [4.8916]
_cell_length_b [4.8916]
_cell_length_c [4.8916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_16175 | BaMg2 | data_[Ba1Mg2]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.2856]
_cell_length_b [5.2856]
_cell_length_c [4.5178]
_cell_angle_alpha [90.0000]
_cell... |
Generated_44376 | 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 [4.9738]
_cell_length_b [4.9738]
_cell_length_c [4.9738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_43447 | Cs | data_[Cs2]
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 [5.3387]
_cell_length_b [5.3387]
_cell_length_c [8.1303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_42916 | Mn | data_[Mn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.7232]
_cell_length_b [2.7232]
_cell_length_c [4.5130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_43737 | 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 [Cmce]
_cell_length_a [8.5737]
_cell_length_b [11.8026]
_cell_length_c [7.7263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_44388 | 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 [3.9946]
_cell_length_b [3.9946]
_cell_length_c [12.0320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_25673 | 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 [3.7907]
_cell_length_b [3.7907]
_cell_length_c [5.6195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_29166 | Li2MnCoO4 | data_[Li8Mn4Co4O16]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8899]
_cell_length_b [5.97... |
Generated_13761 | 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 [4.9611]
_cell_length_b [4.9611]
_cell_length_c [4.9611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_5457 | Ti | data_[Ti4]
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 [P6_3/mmc]
_cell_length_a [2.9362]
_cell_length_b [2.9362]
_cell_length_c [12.6961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_36164 | Li2FeCoO4 | data_[Li8Fe4Co4O16]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8210]
_cell_length_b [5.97... |
Generated_42621 | La2Ag | data_[La8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6266]
_cell_length_b [5.0303]
_cell_length_c [9.2452]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_16636 | 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 [Cmce]
_cell_length_a [8.1762]
_cell_length_b [8.1871]
_cell_length_c [8.3743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_ga... |
Generated_18242 | 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 [3.5087]
_cell_length_b [3.5087]
_cell_length_c [5.5000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_7560 | 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 [3.6369]
_cell_length_b [3.6369]
_cell_length_c [11.2199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... |
Generated_759 | 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 [4.2685]
_cell_length_b [4.2685]
_cell_length_c [5.8625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_1165 | 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 [5.2643]
_cell_length_b [5.2643]
_cell_length_c [5.2643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_28436 | Li3(Fe2O3)2 | data_[Li6Fe8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8481]
_cell_length_b [5.9601]
_cell_length_c [5.9359]
_ce... |
Generated_16267 | LiMnO3 | data_[Li4Mn4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.0314]
_cell_length_b [7.1514]
_cell_length_c [5.1585]
_cel... |
Generated_31384 | 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 [4.7889]
_cell_length_b [4.7889]
_cell_length_c [4.7889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_14772 | 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 [P6_3/mmc]
_cell_length_a [5.4739]
_cell_length_b [5.4739]
_cell_length_c [11.8806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_28544 | 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 [3.8384]
_cell_length_b [3.8384]
_cell_length_c [6.5179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_41346 | 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 [3.6317]
_cell_length_b [3.6317]
_cell_length_c [11.0320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_41962 | 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 [P6_3/mmc]
_cell_length_a [3.5904]
_cell_length_b [3.5904]
_cell_length_c [11.4084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_18848 | 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 [5.1220]
_cell_length_b [5.1220]
_cell_length_c [5.1220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_38720 | Pr3As4 | data_[Pr12As16]
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
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.5587]
_cell_length_b [9.5587]
_cell_length_c [9.5587]
_cell_angle_alpha [90.0000]
_cel... |
Generated_17489 | Yb3Co | data_[Yb12Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8385]
_cell_length_b [9.1443]
_cell_length_c [6.2305]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_40405 | 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 [5.0080]
_cell_length_b [5.0080]
_cell_length_c [5.0080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_40763 | LiMnF4 | data_[Li4Mn4F16]
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 [Cmcm]
_cell_length_a [3.8900]
_cell_length_b [9.4983]
_cell_length_c [9.2537]
_cel... |
Generated_30245 | 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 [5.0188]
_cell_length_b [5.0188]
_cell_length_c [5.0188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_6901 | 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 [3.7444]
_cell_length_b [3.7444]
_cell_length_c [5.9080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_12561 | 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 [4.9120]
_cell_length_b [4.9120]
_cell_length_c [4.9120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_8488 | 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 [3.7067]
_cell_length_b [3.7067]
_cell_length_c [5.5165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_1768 | 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 [6.5914]
_cell_length_b [6.5914]
_cell_length_c [11.1338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_3740 | Li2FeCoO3 | data_[Li4Fe2Co2O8]
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
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 [5.0245]
_cell_length_b [5.0571... |
Generated_12605 | Li2MnCoO3 | data_[Li4Mn2Co2O8]
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
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 [5.0986]
_cell_length_b [5.0821... |
Generated_44293 | 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 [5.1758]
_cell_length_b [5.1758]
_cell_length_c [11.6031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_30667 | Ti | data_[Ti8]
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 [Cmcm]
_cell_length_a [3.1047]
_cell_length_b [9.1579]
_cell_length_c [4.9669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
Generated_11616 | 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 [3.8789]
_cell_length_b [3.8789]
_cell_length_c [6.1594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_19823 | BaCu | data_[Ba1Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2907]
_cell_length_b [4.2907]
_cell_length_c [4.2907]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_16940 | 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 [Cmce]
_cell_length_a [11.3143]
_cell_length_b [8.0891]
_cell_length_c [7.2924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_10428 | Li2Ag | data_[Li8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3986]
_cell_length_b [4.7600]
_cell_length_c [8.1059]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_233 | Cs | data_[Cs2]
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 [6.2723]
_cell_length_b [6.2723]
_cell_length_c [9.0205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_35022 | 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 [3.8919]
_cell_length_b [3.8919]
_cell_length_c [3.8919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_35773 | Sm | data_[Sm2]
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 [3.7338]
_cell_length_b [3.7338]
_cell_length_c [5.6736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_6654 | 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 [5.2111]
_cell_length_b [5.2111]
_cell_length_c [5.2111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_26719 | 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 [6.2874]
_cell_length_b [6.2874]
_cell_length_c [6.2874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_15650 | 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 [4.8818]
_cell_length_b [4.8818]
_cell_length_c [4.8818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_12140 | 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 [3.9765]
_cell_length_b [3.9765]
_cell_length_c [6.0385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_3397 | 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 [3.6038]
_cell_length_b [3.6038]
_cell_length_c [5.7857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_8233 | 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 [4.9097]
_cell_length_b [4.9097]
_cell_length_c [4.9097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_13281 | 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 [Cmcm]
_cell_length_a [5.5818]
_cell_length_b [8.7296]
_cell_length_c [5.5886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
Generated_2623 | 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 [4.7299]
_cell_length_b [4.7299]
_cell_length_c [4.7299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_7470 | 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 [4.9841]
_cell_length_b [4.9841]
_cell_length_c [4.9841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_29082 | Cs3In | data_[Cs12In4]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5394]
_cell_length_b [11.5394]
_cell_length_c [11.5394]
_cell_angle_alpha [90.0000]
_c... |
Generated_23659 | 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 [5.0630]
_cell_length_b [5.0630]
_cell_length_c [5.0630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_43497 | La2Zn | data_[La8Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9257]
_cell_length_b [5.1263]
_cell_length_c [9.1101]
_cell_angle_alpha [90.0000]
_cell_a... |
Generated_22651 | 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 [3.9987]
_cell_length_b [3.9987]
_cell_length_c [5.6705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_22548 | 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 [C2/m]
_cell_length_a [11.3455]
_cell_length_b [3.0171]
_cell_length_c [8.1484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9669]
_cell_angl... |
Generated_16316 | 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 [3.6215]
_cell_length_b [3.6215]
_cell_length_c [5.4450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_28285 | Mn | data_[Mn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [2.9182]
_cell_length_b [2.9182]
_cell_length_c [2.9182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_14141 | 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 [5.3989]
_cell_length_b [5.3989]
_cell_length_c [11.9214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_8066 | 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 [3.5488]
_cell_length_b [3.5488]
_cell_length_c [5.6262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_23753 | 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 [6.2862]
_cell_length_b [6.2862]
_cell_length_c [13.2751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_26880 | 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 [3.2746]
_cell_length_b [3.2746]
_cell_length_c [10.2232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
Generated_13137 | 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 [Cmce]
_cell_length_a [11.0514]
_cell_length_b [7.7365]
_cell_length_c [7.1185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_36986 | Li2FeF4 | data_[Li4Fe2F8]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1838]
_cell_length_b [5.0491]
_cell_length_c [5.2615]
_ce... |
Generated_43434 | K | data_[K2]
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 [Im-3m]
_cell_length_a [5.0574]
_cell_length_b [5.0574]
_cell_length_c [5.0574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_35802 | 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 [Cmce]
_cell_length_a [7.2942]
_cell_length_b [7.9684]
_cell_length_c [9.5833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
Generated_44455 | Ba2TbNbO6 | data_[Ba8Tb4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5974]
_cell_length_b [8.5... |
Generated_25222 | Li2MnCoO3 | data_[Li4Mn2Co2O8]
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
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 [5.0677]
_cell_length_b [5.0935... |
Generated_40865 | Li2Tl | data_[Li8Tl4]
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 [Cmcm]
_cell_length_a [3.0995]
_cell_length_b [13.8638]
_cell_length_c [4.6198]
_cell_angle_alpha [90.0000]
_cell_... |
Generated_31369 | Sm | data_[Sm2]
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 [3.6437]
_cell_length_b [3.6437]
_cell_length_c [5.8554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_29219 | LiMnF4 | data_[Li4Mn4F16]
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 [C2/c]
_cell_length_a [10.4769]
_cell_length_b [5.4731]
_cell_length_c [5.4022]
_ce... |
Generated_12870 | 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 [Cmce]
_cell_length_a [8.2424]
_cell_length_b [8.4426]
_cell_length_c [9.6161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_... |
Generated_7903 | 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 [4.9725]
_cell_length_b [4.9725]
_cell_length_c [4.9725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_28753 | LaGe2 | data_[La8Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.3787]
_cell_length_b [4.3787]
_cell_length_c [36.1916]
_cell_angle_alpha [90.0000]
_... |
Generated_42547 | 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 [5.2157]
_cell_length_b [5.2157]
_cell_length_c [5.2157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_39328 | 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 [3.6415]
_cell_length_b [3.6415]
_cell_length_c [5.5983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_24262 | 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 [3.6130]
_cell_length_b [3.6130]
_cell_length_c [5.7660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_2846 | CeCo5 | data_[Ce1Co5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9259]
_cell_length_b [4.9259]
_cell_length_c [3.9385]
_cell_angle_alpha [90.0000]
_cell... |
Generated_23937 | 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 [3.5988]
_cell_length_b [3.5988]
_cell_length_c [5.7002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
Generated_14839 | 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 [4.9007]
_cell_length_b [4.9007]
_cell_length_c [4.9007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
Generated_10046 | 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 [3.6945]
_cell_length_b [3.6945]
_cell_length_c [5.7410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_44255 | 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 [4.5723]
_cell_length_b [4.5723]
_cell_length_c [4.5723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_34225 | 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 [Cmcm]
_cell_length_a [3.0481]
_cell_length_b [17.0944]
_cell_length_c [5.0865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_3186 | Mn2Co | data_[Mn8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.1608]
_cell_length_b [6.1608]
_cell_length_c [4.8979]
_cell_angle_alpha [90.0000]
_cell... |
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