La3Pm2Y3
Alexandria ALEXAlex-ID: agm005573129 · 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
A2B3C3_294_spg12
LaPm PmY2 LaY2
2023-06-06 09:58:49.300704
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005573129).
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 agm005573129
data_agm005573129
_cell_length_a 3.69225
_cell_length_b 6.33199
_cell_length_c 12.42077
_cell_angle_alpha 75.41014
_cell_angle_beta 81.45261
_cell_angle_gamma 89.99967
_cell_volume 277.69110
_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 0.62547 0.96027 0.74910 1.00000
La2 La 0.50000 0.50000 0.00000 1.00000
La3 La 0.37453 0.03973 0.25090 1.00000
Pm1 Pm 0.25184 0.25365 0.49631 1.00000
Pm2 Pm 0.74816 0.74635 0.50369 1.00000
Y1 Y 0.12545 0.45862 0.74914 1.00000
Y2 Y 0.87455 0.54138 0.25086 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
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