La4PmSm2Er
Alexandria ALEXAlex-ID: agm004771350 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_443_spg123
La5Sm LaEr2 LaSm LaPm
2022-07-16 18:20:08.423108
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004771350).
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 agm004771350
data_agm004771350
_cell_length_a 5.25893
_cell_length_b 5.22412
_cell_length_c 11.45475
_cell_angle_alpha 62.83471
_cell_angle_beta 89.99961
_cell_angle_gamma 89.99964
_cell_volume 279.98590
_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 0.00000 0.74844 0.75213 1.00000
La2 La 1.00000 0.25157 0.24787 1.00000
La3 La 0.50000 0.75210 0.24766 1.00000
La4 La 0.50000 0.24790 0.75234 1.00000
Pm1 Pm 0.00000 0.49999 0.50000 1.00000
Sm1 Sm 0.00000 0.00000 1.00000 1.00000
Sm2 Sm 0.50000 0.00000 0.50000 1.00000
Er1 Er 0.50000 0.50000 1.00000 1.00000
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