Pa4OsRuSe2
Alexandria ALEXAlex-ID: agm004854841 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
Pa4OsRu3 PaSe PaOs
2022-07-20 10:54:27.224967
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004854841).
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 agm004854841
data_agm004854841
_cell_length_a 3.93982
_cell_length_b 7.44184
_cell_length_c 6.80968
_cell_angle_alpha 72.23614
_cell_angle_beta 89.99973
_cell_angle_gamma 89.99968
_cell_volume 190.13731
_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 0.00000 0.72367 0.75896 1.00000
Pa2 Pa 1.00000 0.27633 0.24104 1.00000
Pa3 Pa 0.50000 0.72323 0.25825 1.00000
Pa4 Pa 0.50000 0.27678 0.74175 1.00000
Os1 Os 0.00000 0.49999 0.50000 1.00000
Ru1 Ru 0.50000 0.50000 1.00000 1.00000
Se1 Se 0.00000 0.00000 1.00000 1.00000
Se2 Se 0.50000 0.00000 0.50000 1.00000
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