ZnH8Os2S
Alexandria ALEXAlex-ID: agm007197950 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1883_spg2
ZnH8Os H3S ZnS Os
2024-01-28 18:22:39.913899
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007197950).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007197950
data_agm007197950
_cell_length_a 5.26708
_cell_length_b 5.37717
_cell_length_c 5.81737
_cell_angle_alpha 95.95365
_cell_angle_beta 62.41706
_cell_angle_gamma 95.01441
_cell_volume 145.10033
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.14431 0.26492 0.18698 1.00000
H2 H 0.63056 0.36823 0.89589 1.00000
H3 H 0.85569 0.73508 0.81302 1.00000
H4 H 0.04134 0.64925 0.11923 1.00000
H5 H 0.95866 0.35075 0.88077 1.00000
H6 H 0.43229 0.11635 0.80537 1.00000
H7 H 0.56771 0.88365 0.19463 1.00000
H8 H 0.36944 0.63177 0.10411 1.00000
Os1 Os 0.29205 0.39451 0.89562 1.00000
Os2 Os 0.70795 0.60549 0.10438 1.00000
S1 S 0.50000 0.50000 0.50000 1.00000
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