Material_ID stringlengths 11 35 | Reduced_Formula stringclasses 702
values | CIF stringlengths 757 1.82k |
|---|---|---|
Generated_4195 | I | data_[I14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [34.8240]
_cell_length_b [38.4681]
_cell_length_c [723.8439]
_cell_angle_alpha [90.0523]
_cell_angle_beta [90.5983]
_cell_angle... |
sample_6493_I18 | I | data_[I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [264.1080]
_cell_length_b [527.3897]
_cell_length_c [1313.6359]
_cell_angle_alpha [92.7110]
_cell_angle_beta [92.0847]
_cell_an... |
sample_17661_I11 | I | data_[I11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [938.2331]
_cell_length_b [991.8195]
_cell_length_c [1902.5298]
_cell_angle_alpha [83.8032]
_cell_angle_beta [77.2162]
_cell_an... |
sample_5087_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [158.2061]
_cell_length_b [221.4135]
_cell_length_c [383.7523]
_cell_angle_alpha [79.4748]
_cell_angle_beta [80.4635]
_cell_angl... |
Generated_12503 | I | data_[I15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [16.3109]
_cell_length_b [20.4084]
_cell_length_c [705.4286]
_cell_angle_alpha [89.1503]
_cell_angle_beta [89.7092]
_cell_angle... |
sample_22440_I12 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [662.0753]
_cell_length_b [750.9715]
_cell_length_c [1305.8356]
_cell_angle_alpha [93.5744]
_cell_angle_beta [95.4528]
_cell_an... |
sample_22127_I18 | I | data_[I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [711.6181]
_cell_length_b [1166.9128]
_cell_length_c [1691.0824]
_cell_angle_alpha [81.3115]
_cell_angle_beta [89.1475]
_cell_a... |
Generated_8107 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [136.7271]
_cell_length_b [331.8988]
_cell_length_c [363.8075]
_cell_angle_alpha [86.2936]
_cell_angle_beta [89.6612]
_cell_angl... |
sample_8394_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [1166.1358]
_cell_length_b [1382.5685]
_cell_length_c [1553.2124]
_cell_angle_alpha [110.7074]
_cell_angle_beta [92.4907]
_cell_... |
Generated_14277 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [21.8443]
_cell_length_b [48.4138]
_cell_length_c [522.7531]
_cell_angle_alpha [88.4012]
_cell_angle_beta [89.3155]
_cell_angle_... |
Generated_14177 | I | data_[I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [121.6978]
_cell_length_b [715.1696]
_cell_length_c [969.7085]
_cell_angle_alpha [99.3285]
_cell_angle_beta [92.5629]
_cell_ang... |
sample_11623_I6 | I | data_[I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [194.1005]
_cell_length_b [625.4084]
_cell_length_c [855.7035]
_cell_angle_alpha [94.5576]
_cell_angle_beta [96.0187]
_cell_angl... |
Generated_1318 | I | data_[I9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [284.1801]
_cell_length_b [494.4552]
_cell_length_c [411.2381]
_cell_angle_alpha [80.9280]
_cell_angle_beta [82.8258]
_cell_angl... |
Generated_17729 | I | data_[I9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [534.2474]
_cell_length_b [539.6623]
_cell_length_c [621.7509]
_cell_angle_alpha [102.7725]
_cell_angle_beta [94.5763]
_cell_ang... |
Generated_6572 | I | data_[I13]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [556.5572]
_cell_length_b [586.7148]
_cell_length_c [597.8756]
_cell_angle_alpha [74.9224]
_cell_angle_beta [66.5540]
_cell_ang... |
sample_18665_I16 | I | data_[I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [835.1749]
_cell_length_b [926.8921]
_cell_length_c [3291.8504]
_cell_angle_alpha [88.1237]
_cell_angle_beta [89.6360]
_cell_an... |
Generated_4362 | I | data_[I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [186.4739]
_cell_length_b [280.6637]
_cell_length_c [568.2280]
_cell_angle_alpha [92.5836]
_cell_angle_beta [92.3612]
_cell_ang... |
Generated_15600 | I | data_[I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [41.6269]
_cell_length_b [62.0810]
_cell_length_c [604.7590]
_cell_angle_alpha [92.6348]
_cell_angle_beta [90.7254]
_cell_angle... |
sample_7469_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [162.7626]
_cell_length_b [169.3895]
_cell_length_c [1599.8394]
_cell_angle_alpha [87.2001]
_cell_angle_beta [88.6668]
_cell_ang... |
sample_9737_I10 | I | data_[I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [342.1373]
_cell_length_b [517.9108]
_cell_length_c [3541.1690]
_cell_angle_alpha [90.0545]
_cell_angle_beta [91.1682]
_cell_an... |
Generated_2064 | I | data_[I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [188.9632]
_cell_length_b [188.1223]
_cell_length_c [670.9826]
_cell_angle_alpha [92.8385]
_cell_angle_beta [90.9319]
_cell_ang... |
Generated_8044 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [185.2167]
_cell_length_b [222.1825]
_cell_length_c [727.7028]
_cell_angle_alpha [95.4537]
_cell_angle_beta [90.0751]
_cell_ang... |
sample_17019_I14 | I | data_[I14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [507.4034]
_cell_length_b [617.9651]
_cell_length_c [1292.1182]
_cell_angle_alpha [88.4942]
_cell_angle_beta [81.3911]
_cell_an... |
sample_8935_I10 | I | data_[I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [402.6819]
_cell_length_b [901.7858]
_cell_length_c [4949.2780]
_cell_angle_alpha [89.3771]
_cell_angle_beta [87.7013]
_cell_an... |
Generated_11738 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [376.5005]
_cell_length_b [766.9087]
_cell_length_c [836.4756]
_cell_angle_alpha [116.7928]
_cell_angle_beta [90.1851]
_cell_ang... |
Generated_3777 | I | data_[I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.3983]
_cell_length_b [28.0144]
_cell_length_c [326.9755]
_cell_angle_alpha [89.7311]
_cell_angle_beta [88.9453]
_cell_angle_... |
sample_3040_I16 | I | data_[I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [342.0698]
_cell_length_b [645.0312]
_cell_length_c [1085.2348]
_cell_angle_alpha [88.7526]
_cell_angle_beta [85.5459]
_cell_an... |
Generated_7100 | I | data_[I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [11.9057]
_cell_length_b [26.2888]
_cell_length_c [456.0561]
_cell_angle_alpha [89.4753]
_cell_angle_beta [89.7050]
_cell_angle_... |
sample_17797_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [399.7386]
_cell_length_b [542.4462]
_cell_length_c [1161.1673]
_cell_angle_alpha [85.7473]
_cell_angle_beta [83.0656]
_cell_ang... |
Generated_15987 | I | data_[I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [16.5052]
_cell_length_b [53.8736]
_cell_length_c [727.5369]
_cell_angle_alpha [89.5398]
_cell_angle_beta [89.9370]
_cell_angle... |
sample_4010_I12 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [938.7217]
_cell_length_b [1077.5587]
_cell_length_c [1638.6610]
_cell_angle_alpha [94.3154]
_cell_angle_beta [103.3300]
_cell_... |
sample_4723_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [115.1520]
_cell_length_b [149.6407]
_cell_length_c [1043.1753]
_cell_angle_alpha [86.4159]
_cell_angle_beta [87.2130]
_cell_ang... |
Generated_8394 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [281.2618]
_cell_length_b [297.6601]
_cell_length_c [342.1525]
_cell_angle_alpha [108.2866]
_cell_angle_beta [101.2348]
_cell_an... |
Generated_18640 | 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 [6.2993]
_cell_length_b [6.2993]
_cell_length_c [10.7101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
sample_21678_I12 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [1101.5136]
_cell_length_b [1264.4644]
_cell_length_c [2220.5506]
_cell_angle_alpha [101.4895]
_cell_angle_beta [99.7664]
_cell... |
Generated_7617 | I | data_[I13]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [37.0673]
_cell_length_b [558.6892]
_cell_length_c [989.6679]
_cell_angle_alpha [84.2948]
_cell_angle_beta [89.7591]
_cell_angl... |
sample_11017_I18 | I | data_[I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2919.4308]
_cell_length_b [3687.4825]
_cell_length_c [6294.0099]
_cell_angle_alpha [101.0766]
_cell_angle_beta [98.1589]
_cell... |
Generated_1149 | CaPr2 | data_[Ca1Pr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7749]
_cell_length_b [3.7749]
_cell_length_c [5.4467]
_cell_angle_alpha [90.0000]
_cell_... |
sample_14544_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [386.0210]
_cell_length_b [545.7160]
_cell_length_c [1433.7312]
_cell_angle_alpha [81.5073]
_cell_angle_beta [86.9727]
_cell_ang... |
Generated_10218 | Li3Nb2O6 | data_[Li3Nb2O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.0812]
_cell_length_b [5.1106]
_cell_length_c [7.0957]
_cell_a... |
Generated_20898 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [32.5737]
_cell_length_b [50.5645]
_cell_length_c [740.8847]
_cell_angle_alpha [89.6270]
_cell_angle_beta [89.4254]
_cell_angle... |
sample_7960_I12 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [1057.0817]
_cell_length_b [1169.6466]
_cell_length_c [1345.5475]
_cell_angle_alpha [74.9807]
_cell_angle_beta [75.9131]
_cell_... |
Generated_21322 | I | data_[I14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [104.1912]
_cell_length_b [105.1375]
_cell_length_c [741.3617]
_cell_angle_alpha [91.2404]
_cell_angle_beta [90.5195]
_cell_ang... |
sample_9771_I19 | I | data_[I19]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [743.5414]
_cell_length_b [758.3242]
_cell_length_c [2330.6256]
_cell_angle_alpha [98.3614]
_cell_angle_beta [94.7177]
_cell_an... |
sample_18727_I12 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [656.8581]
_cell_length_b [1073.6249]
_cell_length_c [4552.8661]
_cell_angle_alpha [85.4027]
_cell_angle_beta [88.3452]
_cell_a... |
Generated_3570 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [185.4421]
_cell_length_b [233.6969]
_cell_length_c [301.9186]
_cell_angle_alpha [85.8615]
_cell_angle_beta [75.1206]
_cell_ang... |
Generated_4247 | I | data_[I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [121.0357]
_cell_length_b [200.7185]
_cell_length_c [475.7154]
_cell_angle_alpha [97.4858]
_cell_angle_beta [95.5333]
_cell_ang... |
Generated_11337 | Li | data_[Li4]
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 [Fm-3m]
_cell_length_a [3.4193]
_cell_length_b [3.4193]
_cell_length_c [3.4193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
Generated_15025 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [272.4800]
_cell_length_b [303.0736]
_cell_length_c [311.8630]
_cell_angle_alpha [111.7456]
_cell_angle_beta [103.1271]
_cell_a... |
sample_6478_I18 | I | data_[I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [250.7725]
_cell_length_b [533.6136]
_cell_length_c [558.0927]
_cell_angle_alpha [115.9180]
_cell_angle_beta [102.1677]
_cell_a... |
sample_16220_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [456.1854]
_cell_length_b [462.1782]
_cell_length_c [2897.5932]
_cell_angle_alpha [89.4829]
_cell_angle_beta [86.4085]
_cell_ang... |
Generated_19114 | 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 [7.4601]
_cell_length_b [5.5055]
_cell_length_c [11.2519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_g... |
sample_86_I16 | I | data_[I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [574.6215]
_cell_length_b [581.9796]
_cell_length_c [929.4631]
_cell_angle_alpha [92.9205]
_cell_angle_beta [98.3432]
_cell_ang... |
Generated_11241 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [65.5089]
_cell_length_b [88.2093]
_cell_length_c [232.8158]
_cell_angle_alpha [92.5341]
_cell_angle_beta [92.7049]
_cell_angle_... |
Generated_10682 | I | data_[I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [51.0253]
_cell_length_b [61.6244]
_cell_length_c [765.0577]
_cell_angle_alpha [90.4100]
_cell_angle_beta [90.1142]
_cell_angle_... |
Generated_199 | I | data_[I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [15.1752]
_cell_length_b [25.1972]
_cell_length_c [508.5593]
_cell_angle_alpha [89.9763]
_cell_angle_beta [89.6459]
_cell_angle_... |
Generated_14862 | I | data_[I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [195.6829]
_cell_length_b [403.7222]
_cell_length_c [843.5327]
_cell_angle_alpha [99.6671]
_cell_angle_beta [94.7724]
_cell_ang... |
Generated_13926 | I | data_[I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [43.6497]
_cell_length_b [46.0882]
_cell_length_c [901.2525]
_cell_angle_alpha [89.0378]
_cell_angle_beta [89.2944]
_cell_angle... |
Generated_21126 | I | data_[I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [11.2828]
_cell_length_b [17.5896]
_cell_length_c [172.3201]
_cell_angle_alpha [89.7133]
_cell_angle_beta [89.8967]
_cell_angle... |
sample_12593_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [478.1225]
_cell_length_b [666.3818]
_cell_length_c [679.5836]
_cell_angle_alpha [84.6226]
_cell_angle_beta [77.0117]
_cell_angl... |
Generated_12412 | I | data_[I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6979]
_cell_length_b [8.2415]
_cell_length_c [504.7358]
_cell_angle_alpha [89.1780]
_cell_angle_beta [89.9106]
_cell_angle_ga... |
Generated_21887 | I | data_[I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [128.9653]
_cell_length_b [764.5982]
_cell_length_c [908.6545]
_cell_angle_alpha [86.7064]
_cell_angle_beta [85.4717]
_cell_ang... |
Generated_16287 | 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 [P6_3/mmc]
_cell_length_a [2.7817]
_cell_length_b [2.7817]
_cell_length_c [4.9606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
Generated_16357 | I | data_[I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [25.4637]
_cell_length_b [33.4463]
_cell_length_c [308.1169]
_cell_angle_alpha [91.5673]
_cell_angle_beta [91.7758]
_cell_angle_... |
Generated_4261 | I | data_[I15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [263.0636]
_cell_length_b [285.8954]
_cell_length_c [855.6191]
_cell_angle_alpha [89.3543]
_cell_angle_beta [85.4919]
_cell_ang... |
Generated_8697 | I | data_[I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [23.9237]
_cell_length_b [58.5058]
_cell_length_c [628.4883]
_cell_angle_alpha [89.5134]
_cell_angle_beta [89.3153]
_cell_angle... |
sample_14483_I20 | I | data_[I20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [1829.2384]
_cell_length_b [2004.7417]
_cell_length_c [5008.1612]
_cell_angle_alpha [83.7510]
_cell_angle_beta [83.1132]
_cell_... |
sample_7434_I14 | I | data_[I14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [94.2857]
_cell_length_b [592.7953]
_cell_length_c [1207.7192]
_cell_angle_alpha [99.8741]
_cell_angle_beta [91.8779]
_cell_ang... |
Generated_14445 | 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 [6.0538]
_cell_length_b [6.0538]
_cell_length_c [6.5121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
sample_16749_I6 | I | data_[I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [920.3012]
_cell_length_b [958.8736]
_cell_length_c [1179.5111]
_cell_angle_alpha [91.5881]
_cell_angle_beta [108.4817]
_cell_an... |
Generated_7618 | I | data_[I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [36.7833]
_cell_length_b [46.9740]
_cell_length_c [568.8528]
_cell_angle_alpha [88.7779]
_cell_angle_beta [89.7018]
_cell_angle... |
sample_4880_I6 | I | data_[I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [321.4051]
_cell_length_b [502.4755]
_cell_length_c [1305.6454]
_cell_angle_alpha [94.3681]
_cell_angle_beta [91.9791]
_cell_ang... |
Generated_17954 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [13.3549]
_cell_length_b [16.9519]
_cell_length_c [354.0660]
_cell_angle_alpha [91.1444]
_cell_angle_beta [90.6625]
_cell_angle... |
sample_21443_I5 | I | data_[I5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2092.5561]
_cell_length_b [2536.8478]
_cell_length_c [2609.1995]
_cell_angle_alpha [96.2246]
_cell_angle_beta [100.9555]
_cell_... |
sample_22446_I12 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [251.0206]
_cell_length_b [296.1929]
_cell_length_c [1609.8390]
_cell_angle_alpha [87.4501]
_cell_angle_beta [86.4835]
_cell_an... |
sample_2018_I15 | I | data_[I15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [814.5016]
_cell_length_b [920.8916]
_cell_length_c [1165.2004]
_cell_angle_alpha [96.8349]
_cell_angle_beta [93.9275]
_cell_an... |
sample_18754_I20 | I | data_[I20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [270.1699]
_cell_length_b [279.6558]
_cell_length_c [303.5793]
_cell_angle_alpha [103.7659]
_cell_angle_beta [96.8097]
_cell_an... |
Generated_15648 | 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 [5.3681]
_cell_length_b [5.3681]
_cell_length_c [5.3681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
sample_11050_I5 | I | data_[I5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [1112.6419]
_cell_length_b [1500.7614]
_cell_length_c [1970.3108]
_cell_angle_alpha [97.4140]
_cell_angle_beta [105.9067]
_cell_... |
Generated_20314 | I | data_[I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [601.5956]
_cell_length_b [635.8592]
_cell_length_c [655.6588]
_cell_angle_alpha [111.5009]
_cell_angle_beta [101.8156]
_cell_an... |
Generated_11119 | I | data_[I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [113.2101]
_cell_length_b [565.5592]
_cell_length_c [606.4966]
_cell_angle_alpha [79.3850]
_cell_angle_beta [88.8028]
_cell_ang... |
sample_21823_I2 | I | data_[I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [301.4456]
_cell_length_b [334.3222]
_cell_length_c [1912.8387]
_cell_angle_alpha [92.1541]
_cell_angle_beta [93.3870]
_cell_an... |
sample_13218_I8 | I | data_[I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [493.4871]
_cell_length_b [1137.9246]
_cell_length_c [1749.9077]
_cell_angle_alpha [93.0193]
_cell_angle_beta [91.7642]
_cell_an... |
Generated_21078 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [48.0303]
_cell_length_b [490.5436]
_cell_length_c [498.1932]
_cell_angle_alpha [113.5822]
_cell_angle_beta [90.1729]
_cell_angl... |
sample_21856_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [683.3229]
_cell_length_b [867.2461]
_cell_length_c [1368.3639]
_cell_angle_alpha [82.5851]
_cell_angle_beta [77.7284]
_cell_ang... |
Generated_14391 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [34.4521]
_cell_length_b [53.2564]
_cell_length_c [537.7081]
_cell_angle_alpha [88.0971]
_cell_angle_beta [88.8713]
_cell_angle_... |
sample_186_I10 | I | data_[I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [405.0533]
_cell_length_b [877.3831]
_cell_length_c [1832.3644]
_cell_angle_alpha [88.8268]
_cell_angle_beta [88.3129]
_cell_an... |
Generated_4564 | I | data_[I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [476.4454]
_cell_length_b [911.5670]
_cell_length_c [953.3552]
_cell_angle_alpha [99.7639]
_cell_angle_beta [91.0959]
_cell_ang... |
Generated_14761 | LiTi2 | data_[Li1Ti2]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.8678]
_cell_length_b [2.8678]
_cell_length_c [4.1795]
_cell_angle_alpha [90.0000]
_cell_... |
sample_6130_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [72.8308]
_cell_length_b [130.0128]
_cell_length_c [819.2351]
_cell_angle_alpha [87.6428]
_cell_angle_beta [89.8364]
_cell_angle... |
Generated_4674 | I | data_[I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [321.0553]
_cell_length_b [715.3544]
_cell_length_c [739.2636]
_cell_angle_alpha [73.2790]
_cell_angle_beta [74.1794]
_cell_ang... |
sample_2880_I9 | I | data_[I9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [970.1976]
_cell_length_b [986.7684]
_cell_length_c [1152.5090]
_cell_angle_alpha [74.9030]
_cell_angle_beta [87.2290]
_cell_ang... |
sample_14928_I11 | I | data_[I11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [95.4078]
_cell_length_b [229.7087]
_cell_length_c [1250.3263]
_cell_angle_alpha [85.9611]
_cell_angle_beta [89.7109]
_cell_ang... |
sample_16698_I16 | I | data_[I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [1043.6249]
_cell_length_b [1160.1082]
_cell_length_c [1394.4823]
_cell_angle_alpha [73.0346]
_cell_angle_beta [84.0986]
_cell_... |
Generated_21848 | I | data_[I13]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [43.9963]
_cell_length_b [43.9317]
_cell_length_c [913.1818]
_cell_angle_alpha [89.9053]
_cell_angle_beta [89.7659]
_cell_angle... |
sample_1216_I9 | I | data_[I9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [622.9884]
_cell_length_b [644.6101]
_cell_length_c [796.1073]
_cell_angle_alpha [105.0980]
_cell_angle_beta [95.3466]
_cell_ang... |
sample_5053_I6 | I | data_[I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [973.2282]
_cell_length_b [1119.5257]
_cell_length_c [1447.6636]
_cell_angle_alpha [68.5134]
_cell_angle_beta [86.6839]
_cell_an... |
Generated_14457 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [217.6560]
_cell_length_b [648.0686]
_cell_length_c [668.2380]
_cell_angle_alpha [63.2867]
_cell_angle_beta [84.1486]
_cell_angl... |
sample_19501_I10 | I | data_[I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [398.9676]
_cell_length_b [889.2191]
_cell_length_c [979.2711]
_cell_angle_alpha [98.3772]
_cell_angle_beta [93.3204]
_cell_ang... |
sample_12653_I4 | I | data_[I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [952.6582]
_cell_length_b [1093.2047]
_cell_length_c [1818.3629]
_cell_angle_alpha [82.9055]
_cell_angle_beta [83.5333]
_cell_an... |
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