Ac5Pm2Pr5
Alexandria ALEXAlex-ID: agm005646357 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_15_spg12
Ac Ac12Pm5Pr Pr
2023-06-19 06:25:08.000183
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646357).
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 agm005646357
data_agm005646357
_cell_length_a 6.01620
_cell_length_b 9.59183
_cell_length_c 9.61803
_cell_angle_alpha 66.14192
_cell_angle_beta 71.77458
_cell_angle_gamma 71.72304
_cell_volume 470.81335
_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 0.87774 0.78495 0.45958 1.00000
Ac2 Ac 0.25169 0.74243 0.75419 1.00000
Ac3 Ac 0.74831 0.25757 0.24581 1.00000
Ac4 Ac 0.12226 0.21505 0.54042 1.00000
Ac5 Ac 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.87456 0.45331 0.79758 1.00000
Pm2 Pm 0.12544 0.54669 0.20242 1.00000
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Pr2 Pr 0.37629 0.29377 0.95366 1.00000
Pr3 Pr 0.37714 0.96233 0.28339 1.00000
Pr4 Pr 0.62286 0.03767 0.71661 1.00000
Pr5 Pr 0.62371 0.70623 0.04634 1.00000
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