HS2
Alexandria ALEXAlex-ID: agm006988744 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_824_spg2
H2S H2S5
2025-04-16 11:11:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006988744).
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
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# CIF generated by HEAS from Alexandria entry agm006988744
data_agm006988744
_cell_length_a 4.77241
_cell_length_b 6.78077
_cell_length_c 5.75001
_cell_angle_alpha 73.20261
_cell_angle_beta 61.04742
_cell_angle_gamma 82.10688
_cell_volume 155.87068
_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
H1 H 0.34049 0.18326 0.61606 1.00000
H2 H 0.62058 0.65443 0.12987 1.00000
S1 S 0.01744 0.76145 0.28069 1.00000
S2 S 0.02477 0.18864 0.79732 1.00000
S3 S 0.06929 0.07911 0.15112 1.00000
S4 S 0.42743 0.63311 0.02495 1.00000
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