Zn2As2H5
Alexandria ALEXAlex-ID: agm007079720 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_955_spg2
AsH9 Zn3As2 ZnAs2
2024-01-27 22:08:03.065368
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007079720).
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 agm007079720
data_agm007079720
_cell_length_a 4.86343
_cell_length_b 4.76745
_cell_length_c 8.03656
_cell_angle_alpha 111.05461
_cell_angle_beta 70.61713
_cell_angle_gamma 76.72975
_cell_volume 150.61749
_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 0.93082 0.26310 0.91281 1.00000
Zn2 Zn 0.06918 0.73690 0.08719 1.00000
As1 As 0.73447 0.15466 0.66450 1.00000
As2 As 0.26553 0.84534 0.33550 1.00000
H1 H 0.71334 0.83524 0.66087 1.00000
H2 H 0.28666 0.16476 0.33913 1.00000
H3 H 0.28119 0.35830 0.84510 1.00000
H4 H 0.71881 0.64170 0.15490 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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