YErGa
Alexandria ALEXAlex-ID: agm005683030 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_11_spg189
YEr15 Er3Ga2 Y3Ga2
2023-06-17 10:36:12.853440
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683030).
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 agm005683030
data_agm005683030
_cell_length_a 4.32729
_cell_length_b 7.93064
_cell_length_c 7.93066
_cell_angle_alpha 119.99992
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 235.70286
_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 0.50000 0.40585 0.40585 1.00000
Y2 Y 0.50000 0.00001 0.59415 1.00000
Y3 Y 0.50000 0.59413 0.00000 1.00000
Er1 Er 0.00000 0.74024 0.74024 1.00000
Er2 Er 0.00000 0.99999 0.25976 1.00000
Er3 Er 0.00000 0.25976 0.00000 1.00000
Ga1 Ga 0.00000 0.33333 0.66667 1.00000
Ga2 Ga 0.00000 0.66667 0.33333 1.00000
Ga3 Ga 0.50000 0.00001 0.00000 1.00000
