AcSmSbAs
Alexandria ALEXAlex-ID: agm005201028 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_113_spg8
AcSb SmAs
2022-07-10 09:14:55.578114
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005201028).
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
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# CIF generated by HEAS from Alexandria entry agm005201028
data_agm005201028
_cell_length_a 4.43181
_cell_length_b 4.43143
_cell_length_c 8.20235
_cell_angle_alpha 90.01628
_cell_angle_beta 105.68262
_cell_angle_gamma 119.99423
_cell_volume 132.53786
_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
Ac1 Ac 0.29751 0.54652 0.85975 1.00000
Sm1 Sm 0.97408 0.38519 0.37417 1.00000
Sb1 Sb 0.14547 0.97078 0.13136 1.00000
As1 As 0.46084 0.12832 0.60437 1.00000
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