Pm3Y5Ho4
Alexandria ALEXAlex-ID: agm005695280 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
PmY2 PmHo8
2023-06-29 14:19:28.597898
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695280).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005695280
data_agm005695280
_cell_length_a 7.15058
_cell_length_b 11.30599
_cell_length_c 12.88605
_cell_angle_alpha 151.29484
_cell_angle_beta 56.37384
_cell_angle_gamma 129.26924
_cell_volume 387.36747
_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 0.58567 0.16816 0.33442 1.00000
Pm2 Pm 0.00000 0.00000 0.50000 1.00000
Pm3 Pm 0.41433 0.83184 0.66558 1.00000
Y1 Y 0.33414 0.66687 0.83304 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.74905 0.50113 0.00105 1.00000
Y4 Y 0.25095 0.49887 0.99895 1.00000
Y5 Y 0.66586 0.33313 0.16696 1.00000
Ho1 Ho 0.91796 0.83389 0.66735 1.00000
Ho2 Ho 0.83521 0.66885 0.83408 1.00000
Ho3 Ho 0.16479 0.33115 0.16592 1.00000
Ho4 Ho 0.08204 0.16611 0.33265 1.00000
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