Sm2HoSe3
Alexandria ALEXAlex-ID: agm040506818 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2914_spg15
SmHo4Se5 Sm4HoSe5
2025-01-03 11:02:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040506818).
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 agm040506818
data_agm040506818
_cell_length_a 13.61435
_cell_length_b 12.97851
_cell_length_c 7.18612
_cell_angle_alpha 79.26900
_cell_angle_beta 69.49236
_cell_angle_gamma 31.23864
_cell_volume 599.73742
_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
Sm1 Sm 0.99871 0.99871 0.50129 1.00000
Sm2 Sm 0.41916 0.41916 0.58084 1.00000
Sm3 Sm 0.83084 0.83084 0.66916 1.00000
Sm4 Sm 0.25129 0.25129 0.74871 1.00000
Sm5 Sm 0.74871 0.74871 0.25129 1.00000
Sm6 Sm 0.66916 0.66916 0.83084 1.00000
Sm7 Sm 0.58084 0.58084 0.41916 1.00000
Sm8 Sm 0.50129 0.50129 0.99871 1.00000
Ho1 Ho 0.91751 0.91751 0.08249 1.00000
Ho2 Ho 0.33249 0.33249 0.16751 1.00000
Ho3 Ho 0.16751 0.16751 0.33249 1.00000
Ho4 Ho 0.08249 0.08249 0.91751 1.00000
Se1 Se 0.66405 0.16528 0.84356 1.00000
Se2 Se 0.16528 0.66405 0.32711 1.00000
Se3 Se 0.58595 0.08472 0.40644 1.00000
Se4 Se 0.08472 0.58595 0.92289 1.00000
Se5 Se 0.49041 0.00959 0.00959 1.00000
Se6 Se 0.00959 0.49041 0.49041 1.00000
Se7 Se 0.92289 0.40644 0.08472 1.00000
Se8 Se 0.40644 0.92289 0.58595 1.00000
Se9 Se 0.32711 0.84356 0.16528 1.00000
Se10 Se 0.84356 0.32711 0.66405 1.00000
Se11 Se 0.75959 0.24041 0.24041 1.00000
Se12 Se 0.24041 0.75959 0.75959 1.00000
