Pm8PrHo5
Alexandria ALEXAlex-ID: agm006113353 · 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
Pm3Ho5 Pm Pm2Pr
2023-08-11 06:06:34.914356
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113353).
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 agm006113353
data_agm006113353
_cell_length_a 8.55471
_cell_length_b 8.55461
_cell_length_c 8.55471
_cell_angle_alpha 111.59998
_cell_angle_beta 105.29356
_cell_angle_gamma 111.59974
_cell_volume 480.02897
_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 0.16417 0.73458 0.07527 1.00000
Pm2 Pm 0.92473 0.08891 0.65931 1.00000
Pm3 Pm 0.72372 0.25551 0.32835 1.00000
Pm4 Pm 0.67165 0.39538 0.92716 1.00000
Pm5 Pm 0.53179 0.60462 0.27628 1.00000
Pm6 Pm 0.57040 0.91109 0.83582 1.00000
Pm7 Pm 0.34069 0.26542 0.42960 1.00000
Pm8 Pm 0.07284 0.74449 0.46821 1.00000
Pr1 Pr 0.25000 0.50000 0.75000 1.00000
Ho1 Ho 0.03814 0.31529 0.13255 1.00000
Ho2 Ho 0.86746 0.90560 0.18275 1.00000
Ho3 Ho 0.81725 0.68471 0.72285 1.00000
Ho4 Ho 0.50000 0.00000 0.50000 1.00000
Ho5 Ho 0.27715 0.09440 0.96186 1.00000
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