Dy3HoAu3
Alexandria ALEXAlex-ID: agm003545321 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_290_spg12
DyHoAu DyAu
2022-03-24 16:23:17.825406
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545321).
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 agm003545321
data_agm003545321
_cell_length_a 7.18872
_cell_length_b 7.18872
_cell_length_c 7.08152
_cell_angle_alpha 84.35547
_cell_angle_beta 84.35547
_cell_angle_gamma 87.69673
_cell_volume 362.24414
_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
Dy1 Dy 0.69156 0.69156 0.50702 1.00000
Dy2 Dy 0.19618 0.80382 0.50000 1.00000
Dy3 Dy 0.80382 0.19618 0.50000 1.00000
Dy4 Dy 0.27588 0.72412 0.00000 1.00000
Dy5 Dy 0.72412 0.27588 0.00000 1.00000
Dy6 Dy 0.30844 0.30844 0.49298 1.00000
Ho1 Ho 0.76265 0.76265 0.97619 1.00000
Ho2 Ho 0.23735 0.23735 0.02381 1.00000
Au1 Au 0.95711 0.95711 0.21264 1.00000
Au2 Au 0.00074 0.49090 0.73920 1.00000
Au3 Au 0.49090 0.00074 0.73920 1.00000
Au4 Au 0.99926 0.50910 0.26080 1.00000
Au5 Au 0.50910 0.99926 0.26080 1.00000
Au6 Au 0.04289 0.04289 0.78736 1.00000
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