Zn2P2H5
Alexandria ALEXAlex-ID: agm007182863 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1423_spg1
PH4 Zn3P2 ZnH2
2024-01-27 21:48:54.701040
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007182863).
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 agm007182863
data_agm007182863
_cell_length_a 4.05564
_cell_length_b 4.85396
_cell_length_c 9.25118
_cell_angle_alpha 94.84151
_cell_angle_beta 103.37185
_cell_angle_gamma 126.66357
_cell_volume 136.22801
_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 0.47783 0.46100 0.98669 1.00000
Zn2 Zn 0.10152 0.08165 0.15104 1.00000
P1 P 0.74938 0.17617 0.29835 1.00000
P2 P 0.27190 0.05482 0.72709 1.00000
H1 H 0.83171 0.76636 0.62801 1.00000
H2 H 0.04119 0.51958 0.41004 1.00000
H3 H 0.68745 0.97805 0.40921 1.00000
H4 H 0.45346 0.11536 0.60635 1.00000
H5 H 0.38557 0.84700 0.78321 1.00000
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