Sc20Pt5I24
Alexandria ALEXAlex-ID: agm008604064 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B20C24_0_spg2
Sc20Pt5I24
2024-09-25 08:45:23.338498
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008604064).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm008604064
data_agm008604064
_cell_length_a 11.84749
_cell_length_b 12.60116
_cell_length_c 14.18077
_cell_angle_alpha 100.68674
_cell_angle_beta 108.15026
_cell_angle_gamma 109.07195
_cell_volume 1801.44942
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc 0.50455 0.03191 0.70337 1.00000
Sc2 Sc 0.49545 0.96809 0.29663 1.00000
Sc3 Sc 0.73194 0.00727 0.64229 1.00000
Sc4 Sc 0.26806 0.99273 0.35771 1.00000
Sc5 Sc 0.82179 0.17429 0.90387 1.00000
Sc6 Sc 0.17821 0.82571 0.09613 1.00000
Sc7 Sc 0.49249 0.21730 0.58180 1.00000
Sc8 Sc 0.50751 0.78270 0.41820 1.00000
Sc9 Sc 0.72020 0.19315 0.52129 1.00000
Sc10 Sc 0.27980 0.80685 0.47871 1.00000
Sc11 Sc 0.80483 0.45323 0.72302 1.00000
Sc12 Sc 0.19517 0.54677 0.27698 1.00000
Sc13 Sc 0.98356 0.29576 0.76760 1.00000
Sc14 Sc 0.01644 0.70424 0.23240 1.00000
Sc15 Sc 0.64317 0.33257 0.85856 1.00000
Sc16 Sc 0.35683 0.66743 0.14144 1.00000
Sc17 Sc 0.11689 0.58785 0.90286 1.00000
Sc18 Sc 0.88311 0.41215 0.09714 1.00000
Sc19 Sc 0.87274 0.61431 0.96874 1.00000
Sc20 Sc 0.12726 0.38569 0.03126 1.00000
Pt1 Pt 0.50000 0.00000 0.50000 1.00000
Pt2 Pt 0.72425 0.22506 0.72440 1.00000
Pt3 Pt 0.27575 0.77494 0.27560 1.00000
Pt4 Pt 0.90933 0.41059 0.90922 1.00000
Pt5 Pt 0.09067 0.58941 0.09078 1.00000
I1 I 0.27607 0.83446 0.68755 1.00000
I2 I 0.72393 0.16554 0.31245 1.00000
I3 I 0.74755 0.78272 0.56147 1.00000
I4 I 0.25245 0.21728 0.43853 1.00000
I5 I 0.66684 0.91367 0.80744 1.00000
I6 I 0.33316 0.08633 0.19256 1.00000
I7 I 0.36080 0.18494 0.73011 1.00000
I8 I 0.63920 0.81506 0.26989 1.00000
I9 I 0.94356 0.12253 0.57436 1.00000
I10 I 0.05644 0.87747 0.42564 1.00000
I11 I 0.63784 0.39116 0.49760 1.00000
I12 I 0.36216 0.60884 0.50240 1.00000
I13 I 0.05493 0.13728 0.88718 1.00000
I14 I 0.94507 0.86272 0.11282 1.00000
I15 I 0.62872 0.18267 0.99878 1.00000
I16 I 0.37128 0.81733 0.00122 1.00000
I17 I 0.00745 0.24836 0.15219 1.00000
I18 I 0.99255 0.75164 0.84781 1.00000
I19 I 0.29762 0.46674 0.91768 1.00000
I20 I 0.70238 0.53326 0.08232 1.00000
I21 I 0.03303 0.48459 0.66472 1.00000
I22 I 0.96697 0.51541 0.33528 1.00000
I23 I 0.61424 0.53227 0.77947 1.00000
I24 I 0.38576 0.46773 0.22053 1.00000
