La4Y3Er4
Alexandria ALEXAlex-ID: agm005703096 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_105_spg12
La7Y LaY2 LaEr2
2023-07-02 04:08:01.743129
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703096).
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 agm005703096
data_agm005703096
_cell_length_a 3.61808
_cell_length_b 5.67130
_cell_length_c 18.45779
_cell_angle_alpha 81.16770
_cell_angle_beta 84.47158
_cell_angle_gamma 89.99664
_cell_volume 372.46557
_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
La1 La 0.55504 0.55246 0.89524 1.00000
La2 La 0.44499 0.44756 0.10467 1.00000
La3 La 0.32163 0.82249 0.35493 1.00000
La4 La 0.67829 0.17744 0.64515 1.00000
Y1 Y 0.14866 0.64653 0.70700 1.00000
Y2 Y 0.85129 0.35343 0.29303 1.00000
Y3 Y 0.00002 1.00000 0.99997 1.00000
Er1 Er 0.09531 0.09285 0.81438 1.00000
Er2 Er 0.26455 0.26522 0.46967 1.00000
Er3 Er 0.73541 0.73474 0.53037 1.00000
Er4 Er 0.90467 0.90713 0.18560 1.00000
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