Ce5SiRu5
Alexandria ALEXAlex-ID: agm003672776 · 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
AB5C5_40_spg12
CeSiRu CeRu
2022-04-09 17:47:54.024060
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672776).
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 agm003672776
data_agm003672776
_cell_length_a 5.22263
_cell_length_b 6.55686
_cell_length_c 8.25158
_cell_angle_alpha 108.70469
_cell_angle_beta 90.00000
_cell_angle_gamma 113.46924
_cell_volume 242.83548
_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 0.67633 0.35266 0.33139 1.00000
Ce2 Ce 0.67442 0.34884 0.84317 1.00000
Ce3 Ce 0.00000 0.00000 0.50000 1.00000
Ce4 Ce 0.32558 0.65116 0.15683 1.00000
Ce5 Ce 0.32367 0.64734 0.66861 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.87706 0.75413 0.18055 1.00000
Ru2 Ru 0.86401 0.72802 0.69447 1.00000
Ru3 Ru 0.50000 0.00000 0.00000 1.00000
Ru4 Ru 0.13599 0.27198 0.30553 1.00000
Ru5 Ru 0.12294 0.24587 0.81945 1.00000
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