La4SmHoTm2
Alexandria ALEXAlex-ID: agm004771348 · 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
LaSm La5Sm HoTm5 LaHo2
2022-07-16 18:27:02.689486
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004771348).
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 agm004771348
data_agm004771348
_cell_length_a 5.24349
_cell_length_b 5.21877
_cell_length_c 11.23305
_cell_angle_alpha 62.31786
_cell_angle_beta 90.00101
_cell_angle_gamma 90.00069
_cell_volume 272.20347
_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 0.75179 0.74828 1.00000
La2 La 1.00000 0.24821 0.25172 1.00000
La3 La 0.49999 0.74751 0.25209 1.00000
La4 La 0.50001 0.25249 0.74791 1.00000
Sm1 Sm 0.50000 0.50000 1.00000 1.00000
Ho1 Ho 0.00000 0.49999 0.50000 1.00000
Tm1 Tm 0.00000 0.00000 1.00000 1.00000
Tm2 Tm 0.50000 0.00000 0.50000 1.00000
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