Ho2ErZr
Alexandria ALEXAlex-ID: agm003624423 · 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
ABC2_6065_spg2
Ho7Er2 HoEr5 Zr
2022-04-29 21:52:51.708712
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003624423).
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 agm003624423
data_agm003624423
_cell_length_a 3.46506
_cell_length_b 6.52105
_cell_length_c 13.01653
_cell_angle_alpha 124.54736
_cell_angle_beta 105.38996
_cell_angle_gamma 74.63140
_cell_volume 231.12509
_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
Ho1 Ho 0.48692 0.97946 0.85908 1.00000
Ho2 Ho 0.47690 0.94230 0.33013 1.00000
Ho3 Ho 0.72258 0.35792 0.28262 1.00000
Ho4 Ho 0.73307 0.39518 0.81163 1.00000
Er1 Er 0.23116 0.87922 0.55231 1.00000
Er2 Er 0.97942 0.45811 0.58944 1.00000
Zr1 Zr 0.23916 0.86338 0.05179 1.00000
Zr2 Zr 0.97046 0.47426 0.08998 1.00000
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