HoEr2Sb3
Alexandria ALEXAlex-ID: agm035521069 · 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_36_spg70
HoEr3Sb4 Ho3ErSb4
2025-02-03 02:04:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035521069).
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 agm035521069
data_agm035521069
_cell_length_a 14.44994
_cell_length_b 13.78153
_cell_length_c 7.53795
_cell_angle_alpha 79.47545
_cell_angle_beta 69.66843
_cell_angle_gamma 30.85611
_cell_volume 700.76436
_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
Ho1 Ho 0.91668 0.91668 0.08332 1.00000
Ho2 Ho 0.33332 0.33332 0.16668 1.00000
Ho3 Ho 0.16668 0.16668 0.33332 1.00000
Ho4 Ho 0.08332 0.08332 0.91668 1.00000
Er1 Er 0.00009 0.00009 0.49991 1.00000
Er2 Er 0.41657 0.41657 0.58343 1.00000
Er3 Er 0.83343 0.83343 0.66657 1.00000
Er4 Er 0.24991 0.24991 0.75009 1.00000
Er5 Er 0.75009 0.75009 0.24991 1.00000
Er6 Er 0.66657 0.66657 0.83343 1.00000
Er7 Er 0.58343 0.58343 0.41657 1.00000
Er8 Er 0.49991 0.49991 0.00009 1.00000
Sb1 Sb 0.66681 0.16682 0.83245 1.00000
Sb2 Sb 0.16682 0.66681 0.33392 1.00000
Sb3 Sb 0.58319 0.08318 0.41755 1.00000
Sb4 Sb 0.08318 0.58319 0.91608 1.00000
Sb5 Sb 0.50079 0.99921 0.99921 1.00000
Sb6 Sb 0.99921 0.50079 0.50079 1.00000
Sb7 Sb 0.91608 0.41755 0.08318 1.00000
Sb8 Sb 0.41755 0.91608 0.58319 1.00000
Sb9 Sb 0.33392 0.83245 0.16682 1.00000
Sb10 Sb 0.83245 0.33392 0.66681 1.00000
Sb11 Sb 0.74921 0.25079 0.25079 1.00000
Sb12 Sb 0.25079 0.74921 0.74921 1.00000
