Ho5Pa2Ru5
Alexandria ALEXAlex-ID: agm005655804 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_60_spg166
Ho5Ru2 Ho2PaRu3 Ho2PaRu2
2023-06-19 06:21:32.169054
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005655804).
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 agm005655804
data_agm005655804
_cell_length_a 4.95400
_cell_length_b 4.95400
_cell_length_c 12.67722
_cell_angle_alpha 78.81260
_cell_angle_beta 78.81259
_cell_angle_gamma 59.97329
_cell_volume 262.52519
_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
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.30978 0.30978 0.07121 1.00000
Ho3 Ho 0.21792 0.21792 0.34822 1.00000
Ho4 Ho 0.78208 0.78208 0.65178 1.00000
Ho5 Ho 0.69022 0.69022 0.92879 1.00000
Pa1 Pa 0.07364 0.07364 0.77670 1.00000
Pa2 Pa 0.92636 0.92636 0.22330 1.00000
Ru1 Ru 0.86011 0.86011 0.42211 1.00000
Ru2 Ru 0.38521 0.38521 0.84211 1.00000
Ru3 Ru 0.61479 0.61479 0.15789 1.00000
Ru4 Ru 0.13989 0.13989 0.57789 1.00000
Ru5 Ru 0.00000 0.00000 0.00000 1.00000
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