Ho2S3
Alexandria ALEXAlex-ID: agm003246714 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_32_spg122
Ho2S3
2022-01-03 06:11:41.100435
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003246714).
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 agm003246714
data_agm003246714
_cell_length_a 13.71879
_cell_length_b 13.71879
_cell_length_c 13.71879
_cell_angle_alpha 144.81136
_cell_angle_beta 144.81136
_cell_angle_gamma 50.61573
_cell_volume 853.08618
_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 0.16455 0.16455 0.00000 1.00000
Ho2 Ho 0.87500 0.50697 0.13197 1.00000
Ho3 Ho 0.17812 0.29903 0.40023 1.00000
Ho4 Ho 0.58545 0.08545 0.50000 1.00000
Ho5 Ho 0.37500 0.74303 0.86803 1.00000
Ho6 Ho 0.89880 0.77789 0.59977 1.00000
Ho7 Ho 0.22211 0.82188 0.12091 1.00000
Ho8 Ho 0.49303 0.62500 0.36803 1.00000
Ho9 Ho 0.91455 0.41455 0.50000 1.00000
Ho10 Ho 0.25697 0.12500 0.63197 1.00000
Ho11 Ho 0.70097 0.10120 0.87909 1.00000
Ho12 Ho 0.83545 0.83545 0.00000 1.00000
Ho13 Ho 0.52789 0.14880 0.09977 1.00000
Ho14 Ho 0.85120 0.95097 0.37909 1.00000
Ho15 Ho 0.57188 0.47211 0.62091 1.00000
Ho16 Ho 0.04903 0.42812 0.90023 1.00000
S1 S 0.07348 0.82738 0.61356 1.00000
S2 S 0.86513 0.24960 0.74599 1.00000
S3 S 0.50361 0.11914 0.25401 1.00000
S4 S 0.88487 0.13086 0.88447 1.00000
S5 S 0.24639 0.00040 0.11553 1.00000
S6 S 0.67652 0.79008 0.25391 1.00000
S7 S 0.21382 0.45992 0.38644 1.00000
S8 S 0.53618 0.42262 0.74609 1.00000
S9 S 0.40375 0.15733 0.59565 1.00000
S10 S 0.19190 0.59625 0.75358 1.00000
S11 S 0.20992 0.46382 0.88644 1.00000
S12 S 0.84267 0.43832 0.24642 1.00000
S13 S 0.57738 0.32348 0.11356 1.00000
S14 S 0.56168 0.80810 0.40435 1.00000
S15 S 0.99960 0.11513 0.24599 1.00000
S16 S 0.86914 0.75361 0.75401 1.00000
S17 S 0.75040 0.49639 0.61553 1.00000
S18 S 0.54008 0.92652 0.75391 1.00000
S19 S 0.17262 0.78618 0.24609 1.00000
S20 S 0.55810 0.81168 0.90435 1.00000
S21 S 0.90733 0.65375 0.09565 1.00000
S22 S 0.34625 0.44190 0.25358 1.00000
S23 S 0.88086 0.13487 0.38447 1.00000
S24 S 0.18832 0.09267 0.74642 1.00000
