La2Y3Tm4
Alexandria ALEXAlex-ID: agm003336766 · 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
A2B3C4_37_spg12
LaY2 YTm2 LaTm2
2022-01-30 06:36:04.940149
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003336766).
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 agm003336766
data_agm003336766
_cell_length_a 5.06552
_cell_length_b 7.99570
_cell_length_c 7.99950
_cell_angle_alpha 107.39412
_cell_angle_beta 108.45835
_cell_angle_gamma 90.00000
_cell_volume 291.66882
_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 0.33431 0.99917 0.66861 1.00000
La2 La 0.66569 0.00083 0.33139 1.00000
Y1 Y 0.88992 0.33763 0.77983 1.00000
Y2 Y 0.11008 0.66237 0.22017 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.55749 0.33981 0.11498 1.00000
Tm2 Tm 0.77795 0.66121 0.55590 1.00000
Tm3 Tm 0.44251 0.66019 0.88502 1.00000
Tm4 Tm 0.22205 0.33879 0.44410 1.00000
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