UPa4Ga
Alexandria ALEXAlex-ID: agm003753045 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1218_spg15
Pa7Ga PaGa3 U
2022-04-18 13:39:52.892918
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003753045).
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 agm003753045
data_agm003753045
_cell_length_a 8.32661
_cell_length_b 5.73579
_cell_length_c 7.60017
_cell_angle_alpha 99.97250
_cell_angle_beta 114.02582
_cell_angle_gamma 111.88326
_cell_volume 284.13934
_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
U1 U 0.00680 0.75680 0.51359 1.00000
U2 U 0.99320 0.24320 0.48641 1.00000
Pa1 Pa 0.91868 0.36793 0.12603 1.00000
Pa2 Pa 0.70735 0.75810 0.12603 1.00000
Pa3 Pa 0.40787 0.74732 0.69949 1.00000
Pa4 Pa 0.59213 0.25268 0.30051 1.00000
Pa5 Pa 0.20838 0.04783 0.30051 1.00000
Pa6 Pa 0.29265 0.24190 0.87397 1.00000
Pa7 Pa 0.79162 0.95217 0.69949 1.00000
Pa8 Pa 0.08132 0.63207 0.87397 1.00000
Ga1 Ga 0.38918 0.63918 0.27836 1.00000
Ga2 Ga 0.61082 0.36082 0.72164 1.00000
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