Zn(HS3)2
Alexandria ALEXAlex-ID: agm097519684 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1299_spg12
H2S5 ZnS
2025-04-08 13:01:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097519684).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm097519684
data_agm097519684
_cell_length_a 5.33163
_cell_length_b 6.36840
_cell_length_c 7.83950
_cell_angle_alpha 114.63003
_cell_angle_beta 73.67296
_cell_angle_gamma 91.33763
_cell_volume 230.85974
_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
Zn1 Zn 0.63582 0.59200 0.67301 1.00000
H1 H 0.81744 0.94370 0.98099 1.00000
H2 H 0.76148 0.09333 0.81572 1.00000
S1 S 0.15327 0.59408 0.84928 1.00000
S2 S 0.55194 0.59153 0.40211 1.00000
S3 S 0.61176 0.99124 0.92739 1.00000
S4 S 0.84804 0.77965 0.32985 1.00000
S5 S 0.96205 0.35539 0.66878 1.00000
S6 S 0.15820 0.55907 0.10286 1.00000
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