Ho3As2S
Alexandria ALEXAlex-ID: agm032174750 · 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
Ho3As2S
2025-02-13 10:04:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032174750).
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 agm032174750
data_agm032174750
_cell_length_a 13.40569
_cell_length_b 12.78251
_cell_length_c 6.98142
_cell_angle_alpha 79.53436
_cell_angle_beta 69.66071
_cell_angle_gamma 30.80492
_cell_volume 557.17728
_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 0.66620 0.16688 0.83361 1.00000
Ho2 Ho 0.16688 0.66620 0.33330 1.00000
Ho3 Ho 0.58380 0.08312 0.41639 1.00000
Ho4 Ho 0.08312 0.58380 0.91670 1.00000
Ho5 Ho 0.49908 0.00092 0.00092 1.00000
Ho6 Ho 0.00092 0.49908 0.49908 1.00000
Ho7 Ho 0.91670 0.41639 0.08312 1.00000
Ho8 Ho 0.41639 0.91670 0.58380 1.00000
Ho9 Ho 0.33330 0.83361 0.16688 1.00000
Ho10 Ho 0.83361 0.33330 0.66620 1.00000
Ho11 Ho 0.75092 0.24908 0.24908 1.00000
Ho12 Ho 0.24908 0.75092 0.75092 1.00000
As1 As 0.00004 0.00004 0.49996 1.00000
As2 As 0.41672 0.41672 0.58328 1.00000
As3 As 0.83328 0.83328 0.66672 1.00000
As4 As 0.24996 0.24996 0.75004 1.00000
As5 As 0.75004 0.75004 0.24996 1.00000
As6 As 0.66672 0.66672 0.83328 1.00000
As7 As 0.58328 0.58328 0.41672 1.00000
As8 As 0.49996 0.49996 0.00004 1.00000
S1 S 0.91674 0.91674 0.08326 1.00000
S2 S 0.33326 0.33326 0.16674 1.00000
S3 S 0.16674 0.16674 0.33326 1.00000
S4 S 0.08326 0.08326 0.91674 1.00000
