NaZn2H8Se
Alexandria ALEXAlex-ID: agm007443261 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_367_spg2
NaZnH9 NaZnHSe ZnH2 ZnSe
2024-02-08 00:09:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007443261).
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 agm007443261
data_agm007443261
_cell_length_a 4.20600
_cell_length_b 5.07280
_cell_length_c 8.94728
_cell_angle_alpha 117.14060
_cell_angle_beta 115.28047
_cell_angle_gamma 94.18028
_cell_volume 144.86051
_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
Na1 Na 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.33227 0.20939 0.87930 1.00000
Zn2 Zn 0.66773 0.79061 0.12070 1.00000
H1 H 0.21966 0.57312 0.93067 1.00000
H2 H 0.15348 0.00155 0.65018 1.00000
H3 H 0.63272 0.40544 0.63684 1.00000
H4 H 0.78034 0.42688 0.06933 1.00000
H5 H 0.36728 0.59456 0.36316 1.00000
H6 H 0.84652 0.99845 0.34982 1.00000
H7 H 0.52095 0.25746 0.53411 1.00000
H8 H 0.47905 0.74254 0.46589 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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