Pm4Y3Au4
Alexandria ALEXAlex-ID: agm003377652 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_3_spg71
Y2Au Pm2Au PmAu
2022-02-09 07:41:17.372370
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003377652).
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 agm003377652
data_agm003377652
_cell_length_a 3.82537
_cell_length_b 9.23984
_cell_length_c 10.01625
_cell_angle_alpha 117.46731
_cell_angle_beta 101.00870
_cell_angle_gamma 90.00000
_cell_volume 306.76273
_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
Pm1 Pm 0.33826 0.15254 0.67652 1.00000
Pm2 Pm 0.66174 0.47602 0.32348 1.00000
Pm3 Pm 0.66174 0.84746 0.32348 1.00000
Pm4 Pm 0.33826 0.52398 0.67652 1.00000
Y1 Y 0.10127 0.10127 0.20254 1.00000
Y2 Y 0.89873 0.89873 0.79746 1.00000
Y3 Y 0.00000 0.50000 0.00000 1.00000
Au1 Au 0.25887 0.75887 0.51774 1.00000
Au2 Au 0.74113 0.24113 0.48226 1.00000
Au3 Au 0.50000 0.81842 0.00000 1.00000
Au4 Au 0.50000 0.18158 1.00000 1.00000
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