CaYHo
Alexandria ALEXAlex-ID: agm005667629 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_684_spg38
YHo8 Y5Ho Ca
2023-06-19 09:00:34.125750
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667629).
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 agm005667629
data_agm005667629
_cell_length_a 5.50149
_cell_length_b 3.60361
_cell_length_c 12.06462
_cell_angle_alpha 81.43799
_cell_angle_beta 62.73645
_cell_angle_gamma 90.01613
_cell_volume 209.60413
_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
Ca1 Ca 0.88475 0.34635 0.25608 1.00000
Ca2 Ca 0.56834 0.93717 0.07236 1.00000
Y1 Y 0.26520 0.53697 0.87506 1.00000
Y2 Y 0.18889 0.74728 0.45337 1.00000
Ho1 Ho 0.89809 0.10334 0.74284 1.00000
Ho2 Ho 0.55630 0.18106 0.58541 1.00000
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