Pr(Y5Ho2)2
Alexandria ALEXAlex-ID: agm005997815 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_63_spg87
YHo8 Y5Ho PrY2
2023-08-08 21:29:39.609510
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997815).
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 agm005997815
data_agm005997815
_cell_length_a 10.71004
_cell_length_b 8.79800
_cell_length_c 8.79800
_cell_angle_alpha 68.25532
_cell_angle_beta 52.50708
_cell_angle_gamma 52.50708
_cell_volume 521.88492
_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 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.25000 0.50000 0.50000 1.00000
Y2 Y 0.70586 0.34121 0.90680 1.00000
Y3 Y 0.95293 0.09320 0.34121 1.00000
Y4 Y 0.38733 0.90680 0.65879 1.00000
Y5 Y 0.95388 0.65879 0.09320 1.00000
Y6 Y 0.29414 0.65879 0.09320 1.00000
Y7 Y 0.75000 0.50000 0.50000 1.00000
Y8 Y 0.04612 0.34121 0.90680 1.00000
Y9 Y 0.61267 0.09320 0.34121 1.00000
Y10 Y 0.04707 0.90680 0.65879 1.00000
Ho1 Ho 0.55133 0.66962 0.22772 1.00000
Ho2 Ho 0.77905 0.77228 0.66962 1.00000
Ho3 Ho 0.22095 0.22772 0.33038 1.00000
Ho4 Ho 0.44867 0.33038 0.77228 1.00000
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