Pa2Mn2Al
Alexandria ALEXAlex-ID: agm034451072 · 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
AB2C2_1352_spg70
PaMn PaMnAl
2025-01-14 06:25:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034451072).
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 agm034451072
data_agm034451072
_cell_length_a 5.53219
_cell_length_b 5.53219
_cell_length_c 8.04898
_cell_angle_alpha 73.11738
_cell_angle_beta 106.88262
_cell_angle_gamma 128.45412
_cell_volume 182.60388
_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
Pa1 Pa 0.22309 0.53233 0.87220 1.00000
Pa2 Pa 0.53233 0.22309 0.62780 1.00000
Pa3 Pa 0.77691 0.46767 0.12780 1.00000
Pa4 Pa 0.46767 0.77691 0.37220 1.00000
Mn1 Mn 0.99343 0.71358 0.54381 1.00000
Mn2 Mn 0.71358 0.99343 0.95619 1.00000
Mn3 Mn 0.00657 0.28642 0.45619 1.00000
Mn4 Mn 0.28642 0.00657 0.04381 1.00000
Al1 Al 0.90440 0.90440 0.75000 1.00000
Al2 Al 0.09560 0.09560 0.25000 1.00000
获取直接链接