Pr6AlOs2
Alexandria ALEXAlex-ID: agm005807804 · 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
AB2C6_712_spg71
Pr3Os Pr2Al3Os Pr
2023-07-06 11:04:55.083971
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807804).
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 agm005807804
data_agm005807804
_cell_length_a 8.78390
_cell_length_b 8.78389
_cell_length_c 8.78390
_cell_angle_alpha 104.90829
_cell_angle_beta 111.68589
_cell_angle_gamma 111.91368
_cell_volume 519.26465
_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
Pr1 Pr 0.54026 0.72306 0.81720 1.00000
Pr2 Pr 0.45974 0.27694 0.18280 1.00000
Pr3 Pr 0.09414 0.27694 0.81720 1.00000
Pr4 Pr 0.90586 0.72306 0.18280 1.00000
Pr5 Pr 0.80162 0.75680 0.55842 1.00000
Pr6 Pr 0.19838 0.24320 0.44158 1.00000
Pr7 Pr 0.19838 0.75680 0.95518 1.00000
Pr8 Pr 0.80162 0.24320 0.04482 1.00000
Pr9 Pr 0.68536 0.35695 0.67159 1.00000
Pr10 Pr 0.31464 0.64305 0.32841 1.00000
Pr11 Pr 0.31464 0.98623 0.67159 1.00000
Pr12 Pr 0.68536 0.01377 0.32841 1.00000
Al1 Al 0.00000 0.50000 0.50000 1.00000
Al2 Al 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.50000 0.38337 0.88337 1.00000
Os2 Os 0.50000 0.61663 0.11663 1.00000
Os3 Os 0.68318 1.00000 0.68318 1.00000
Os4 Os 0.31682 0.00000 0.31682 1.00000
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