AlReMo
Alexandria ALEXAlex-ID: agm005686334 · 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
ABC_9195_spg12
AlRe2 AlRe AlMo3
2023-06-16 21:19:11.438576
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686334).
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 agm005686334
data_agm005686334
_cell_length_a 5.22002
_cell_length_b 6.86186
_cell_length_c 3.71362
_cell_angle_alpha 96.41672
_cell_angle_beta 134.65373
_cell_angle_gamma 90.00001
_cell_volume 93.44998
_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
Al1 Al 0.68281 0.69499 0.36561 1.00000
Al2 Al 0.31719 0.30501 0.63439 1.00000
Re1 Re 0.24653 0.00000 0.00000 1.00000
Re2 Re 0.75347 1.00000 1.00000 1.00000
Mo1 Mo 0.17898 0.67693 0.35796 1.00000
Mo2 Mo 0.82102 0.32307 0.64204 1.00000
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