Zn2CuH8S
Alexandria ALEXAlex-ID: agm007203349 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1863_spg1
CuH4 ZnH2 ZnS H2
2024-01-28 19:21:32.189743
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007203349).
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 agm007203349
data_agm007203349
_cell_length_a 5.03652
_cell_length_b 5.40815
_cell_length_c 7.52826
_cell_angle_alpha 79.10208
_cell_angle_beta 100.44744
_cell_angle_gamma 123.74481
_cell_volume 166.70115
_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 0.78068 0.06456 0.54019 1.00000
Zn2 Zn 0.27913 0.01788 0.54889 1.00000
Cu1 Cu 0.13920 0.04069 0.87169 1.00000
H1 H 0.67059 0.32614 0.51890 1.00000
H2 H 0.93119 0.92134 0.05930 1.00000
H3 H 0.37567 0.77569 0.50025 1.00000
H4 H 0.23216 0.86799 0.76977 1.00000
H5 H 0.01343 0.07173 0.40474 1.00000
H6 H 0.79499 0.32584 0.92900 1.00000
H7 H 0.84724 0.06358 0.76861 1.00000
H8 H 0.84323 0.74169 0.04418 1.00000
S1 S 0.59248 0.28288 0.04447 1.00000
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