Ac2AlAsRh6
Alexandria ALEXAlex-ID: agm004932769 · 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
ABC2D6_393_spg12
AcAsRh3 AcRh3 AcAsRh AlRh
2022-07-17 20:01:48.206270
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004932769).
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 agm004932769
data_agm004932769
_cell_length_a 6.61417
_cell_length_b 6.69387
_cell_length_c 6.50299
_cell_angle_alpha 78.09306
_cell_angle_beta 51.09487
_cell_angle_gamma 99.94840
_cell_volume 201.20926
_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 0.73312 0.20601 0.54919 1.00000
Ac2 Ac 0.26688 0.79399 0.45081 1.00000
Al1 Al 0.00000 1.00000 0.00000 1.00000
As1 As 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.22918 0.23522 0.49594 1.00000
Rh2 Rh 0.70828 0.58800 0.20697 1.00000
Rh3 Rh 0.22295 0.72139 0.01541 1.00000
Rh4 Rh 0.77705 0.27861 0.98460 1.00000
Rh5 Rh 0.29172 0.41200 0.79303 1.00000
Rh6 Rh 0.77082 0.76478 0.50406 1.00000
获取直接链接