Y9Er2
Alexandria ALEXAlex-ID: agm008489693 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B9_32_spg15
YEr5 Y5Er
2025-01-30 04:24:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008489693).
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 agm008489693
data_agm008489693
_cell_length_a 8.45735
_cell_length_b 8.45735
_cell_length_c 15.61403
_cell_angle_alpha 68.84177
_cell_angle_beta 111.15823
_cell_angle_gamma 136.24456
_cell_volume 711.55401
_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 0.24205 0.42274 0.43206 1.00000
Y2 Y 0.87973 0.78943 0.15836 1.00000
Y3 Y 0.84762 0.48362 0.38681 1.00000
Y4 Y 0.33298 0.33298 0.25000 1.00000
Y5 Y 0.57726 0.75795 0.93206 1.00000
Y6 Y 0.21057 0.12027 0.65836 1.00000
Y7 Y 0.51638 0.15238 0.88681 1.00000
Y8 Y 0.48362 0.84762 0.11319 1.00000
Y9 Y 0.78943 0.87973 0.34164 1.00000
Y10 Y 0.42274 0.24205 0.06794 1.00000
Y11 Y 0.66702 0.66702 0.75000 1.00000
Y12 Y 0.15238 0.51638 0.61319 1.00000
Y13 Y 0.12027 0.21057 0.84164 1.00000
Y14 Y 0.75795 0.57726 0.56794 1.00000
Y15 Y 0.93885 0.39400 0.20362 1.00000
Y16 Y 0.60600 0.06115 0.70362 1.00000
Y17 Y 0.39400 0.93885 0.29638 1.00000
Y18 Y 0.06115 0.60600 0.79638 1.00000
Er1 Er 0.30438 0.03022 0.47728 1.00000
Er2 Er 0.03022 0.30438 0.02272 1.00000
Er3 Er 0.96978 0.69562 0.97728 1.00000
Er4 Er 0.69562 0.96978 0.52272 1.00000
