Ce5Sc2Bi5
Alexandria ALEXAlex-ID: agm003374472 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_20_spg12
Ce4Bi3 Sc2Bi CeBi
2022-02-09 00:52:20.204885
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374472).
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 agm003374472
data_agm003374472
_cell_length_a 4.48828
_cell_length_b 7.95259
_cell_length_c 12.15145
_cell_angle_alpha 115.79587
_cell_angle_beta 90.00000
_cell_angle_gamma 106.39095
_cell_volume 370.83003
_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
Ce1 Ce 0.50000 0.00000 0.50000 1.00000
Ce2 Ce 0.66745 0.33491 0.04042 1.00000
Ce3 Ce 0.67817 0.35633 0.27766 1.00000
Ce4 Ce 0.32183 0.64367 0.72234 1.00000
Ce5 Ce 0.33255 0.66509 0.95958 1.00000
Sc1 Sc 0.05619 0.11238 0.79174 1.00000
Sc2 Sc 0.94381 0.88762 0.20826 1.00000
Bi1 Bi 0.12669 0.25339 0.43834 1.00000
Bi2 Bi 0.68203 0.36406 0.77807 1.00000
Bi3 Bi 0.31797 0.63594 0.22193 1.00000
Bi4 Bi 0.87331 0.74661 0.56166 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
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