Pm8Os3Pd2
Alexandria ALEXAlex-ID: agm005643573 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_146_spg65
Pm5Os2 PmOs2 PmPd
2023-06-18 17:56:07.406756
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643573).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005643573
data_agm005643573
_cell_length_a 4.95876
_cell_length_b 9.91748
_cell_length_c 8.66946
_cell_angle_alpha 124.88154
_cell_angle_beta 89.99998
_cell_angle_gamma 89.99999
_cell_volume 349.75025
_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 0.00000 0.61669 0.23341 1.00000
Pm2 Pm 1.00000 0.38331 0.76659 1.00000
Pm3 Pm 1.00000 0.12074 0.24139 1.00000
Pm4 Pm 0.00000 0.87926 0.75861 1.00000
Pm5 Pm 0.50000 0.63335 0.76402 1.00000
Pm6 Pm 0.50000 0.13045 0.76372 1.00000
Pm7 Pm 0.50000 0.86955 0.23628 1.00000
Pm8 Pm 0.50000 0.36665 0.23598 1.00000
Os1 Os 0.50000 0.00000 0.00000 1.00000
Os2 Os 1.00000 0.25012 0.99985 1.00000
Os3 Os 0.00000 0.74988 0.00015 1.00000
Pd1 Pd 0.50000 0.25091 0.50158 1.00000
Pd2 Pd 0.50000 0.74909 0.49842 1.00000
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