Ho6AsP2S3
Alexandria ALEXAlex-ID: agm044804562 · 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
AB2C3D6_175_spg12
Ho2PS Ho3PS2 Ho3As2S
2025-02-21 23:24:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044804562).
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 agm044804562
data_agm044804562
_cell_length_a 6.86538
_cell_length_b 6.86538
_cell_length_c 6.84639
_cell_angle_alpha 80.33080
_cell_angle_beta 99.66920
_cell_angle_gamma 60.14702
_cell_volume 263.68516
_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 0.42190 0.91796 0.24462 1.00000
Ho2 Ho 0.25841 0.74159 0.75491 1.00000
Ho3 Ho 0.57810 0.08204 0.75538 1.00000
Ho4 Ho 0.08204 0.57810 0.24462 1.00000
Ho5 Ho 0.74159 0.25841 0.24509 1.00000
Ho6 Ho 0.91796 0.42190 0.75538 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
P1 P 0.33314 0.33314 0.00000 1.00000
P2 P 0.66686 0.66686 0.00000 1.00000
S1 S 0.16534 0.16534 0.50000 1.00000
S2 S 0.83466 0.83466 0.50000 1.00000
S3 S 0.50000 0.50000 0.50000 1.00000
获取直接链接