Y7Ho4Er
Alexandria ALEXAlex-ID: agm003665522 · 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
AB4C7_93_spg12
Ho7Er2 Y5Er Y5Ho
2022-04-20 18:37:16.354220
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665522).
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 agm003665522
data_agm003665522
_cell_length_a 5.86253
_cell_length_b 9.58482
_cell_length_c 8.54566
_cell_angle_alpha 61.44841
_cell_angle_beta 69.93952
_cell_angle_gamma 72.19229
_cell_volume 390.30259
_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
Y1 Y 0.78703 0.87757 0.54838 1.00000
Y2 Y 0.21297 0.12243 0.45162 1.00000
Y3 Y 0.08004 0.56176 0.27816 1.00000
Y4 Y 0.91996 0.43824 0.72184 1.00000
Y5 Y 0.20935 0.76814 0.81316 1.00000
Y6 Y 0.50000 0.00000 0.00000 1.00000
Y7 Y 0.79065 0.23186 0.18684 1.00000
Ho1 Ho 0.57336 0.30039 0.55289 1.00000
Ho2 Ho 0.42664 0.69961 0.44711 1.00000
Ho3 Ho 0.67288 0.61381 0.04044 1.00000
Ho4 Ho 0.32712 0.38619 0.95956 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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