Ac4La5Y2
Alexandria ALEXAlex-ID: agm012379474 · 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
A2B4C5_966_spg2
La7Y LaY2 Ac
2024-06-02 02:37:45.252354
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012379474).
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 agm012379474
data_agm012379474
_cell_length_a 6.61101
_cell_length_b 6.57788
_cell_length_c 10.02395
_cell_angle_alpha 96.30932
_cell_angle_beta 89.99785
_cell_angle_gamma 99.59006
_cell_volume 427.13638
_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 0.40971 0.45752 0.31441 1.00000
Ac2 Ac 0.59029 0.54248 0.68559 1.00000
Ac3 Ac 0.86353 0.17369 0.22184 1.00000
Ac4 Ac 0.13647 0.82631 0.77816 1.00000
La1 La 0.67996 0.09275 0.86432 1.00000
La2 La 0.32004 0.90725 0.13568 1.00000
La3 La 0.50000 0.00000 0.50000 1.00000
La4 La 0.95796 0.72952 0.40713 1.00000
La5 La 0.04204 0.27048 0.59287 1.00000
Y1 Y 0.77250 0.63013 0.04414 1.00000
Y2 Y 0.22750 0.36987 0.95586 1.00000
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