Zn2H7Se
Alexandria ALEXAlex-ID: agm006197971 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_953_spg1
ZnH2 H2 ZnSe
2024-02-06 13:20:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197971).
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 agm006197971
data_agm006197971
_cell_length_a 20.16111
_cell_length_b 9.58698
_cell_length_c 3.47303
_cell_angle_alpha 110.44742
_cell_angle_beta 120.04308
_cell_angle_gamma 15.73870
_cell_volume 130.11387
_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
Se1 Se 0.04121 0.95409 0.94611 1.00000
Zn1 Zn 0.64370 0.95264 0.65817 1.00000
Zn2 Zn 0.44985 0.95214 0.25052 1.00000
H1 H 0.26015 0.92838 0.47466 1.00000
H2 H 0.06794 0.96661 0.43172 1.00000
H3 H 0.79865 0.96297 0.55777 1.00000
H4 H 0.28686 0.95870 0.52862 1.00000
H5 H 0.65953 0.95651 0.21027 1.00000
H6 H 0.42754 0.95400 0.68733 1.00000
H7 H 0.86457 0.91396 0.75484 1.00000
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