LaY8Tm3
Alexandria ALEXAlex-ID: agm013672500 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_861_spg6
Y5Tm LaY2 YTm2
2025-01-07 05:45:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013672500).
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 agm013672500
data_agm013672500
_cell_length_a 8.84760
_cell_length_b 3.60024
_cell_length_c 12.44438
_cell_angle_alpha 90.00000
_cell_angle_beta 103.57083
_cell_angle_gamma 90.00000
_cell_volume 385.32952
_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 0.24725 0.00000 0.79238 1.00000
Y1 Y 0.58606 0.50000 0.93327 1.00000
Y2 Y 0.58441 0.00000 0.68061 1.00000
Y3 Y 0.91122 0.50000 0.65284 1.00000
Y4 Y 0.91114 0.00000 0.39981 1.00000
Y5 Y 0.24756 0.50000 0.53883 1.00000
Y6 Y 0.24401 0.00000 0.28949 1.00000
Y7 Y 0.24681 0.50000 0.04421 1.00000
Y8 Y 0.58116 0.50000 0.42763 1.00000
Tm1 Tm 0.91234 0.00000 0.90501 1.00000
Tm2 Tm 0.58363 0.00000 0.18081 1.00000
Tm3 Tm 0.91065 0.50000 0.15169 1.00000
获取直接链接