Pm8Pr5Ho
Alexandria ALEXAlex-ID: agm006113349 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_5_spg82
Pm2Ho7 Pm2Pr Pr
2023-08-11 06:02:12.840133
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113349).
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 agm006113349
data_agm006113349
_cell_length_a 8.64681
_cell_length_b 8.64685
_cell_length_c 8.64680
_cell_angle_alpha 110.65642
_cell_angle_beta 107.12554
_cell_angle_gamma 110.65661
_cell_volume 497.05603
_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 0.17013 0.73353 0.07065 1.00000
Pm2 Pm 0.92935 0.09948 0.66288 1.00000
Pm3 Pm 0.73349 0.25820 0.33635 1.00000
Pm4 Pm 0.66365 0.39714 0.92185 1.00000
Pm5 Pm 0.52471 0.60286 0.26651 1.00000
Pm6 Pm 0.56340 0.90052 0.82987 1.00000
Pm7 Pm 0.33712 0.26647 0.43660 1.00000
Pm8 Pm 0.07815 0.74180 0.47529 1.00000
Pr1 Pr 0.02911 0.31785 0.13253 1.00000
Pr2 Pr 0.86747 0.89658 0.18532 1.00000
Pr3 Pr 0.81468 0.68215 0.71126 1.00000
Pr4 Pr 0.50000 0.00000 0.50000 1.00000
Pr5 Pr 0.28874 0.10342 0.97089 1.00000
Ho1 Ho 0.25000 0.50000 0.75000 1.00000
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