SrAl4ZnH8
Alexandria ALEXAlex-ID: agm007014688 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_117_spg1
Al6Zn Al3Zn4 SrAlH5 AlH3
2024-01-28 11:02:15.585113
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007014688).
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 agm007014688
data_agm007014688
_cell_length_a 6.87305
_cell_length_b 6.87305
_cell_length_c 6.87305
_cell_angle_alpha 47.12016
_cell_angle_beta 47.12016
_cell_angle_gamma 47.12016
_cell_volume 159.40850
_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
Sr1 Sr 0.65748 0.65748 0.65748 1.00000
Al1 Al 0.42179 0.42179 0.42179 1.00000
Al2 Al 0.02024 0.02024 0.50700 1.00000
Al3 Al 0.50700 0.02024 0.02024 1.00000
Al4 Al 0.02024 0.50700 0.02024 1.00000
Zn1 Zn 0.06336 0.06336 0.06336 1.00000
H1 H 0.76124 0.76124 0.18555 1.00000
H2 H 0.18555 0.76124 0.76124 1.00000
H3 H 0.76124 0.18555 0.76124 1.00000
H4 H 0.79704 0.79704 0.79704 1.00000
H5 H 0.19669 0.19669 0.66832 1.00000
H6 H 0.66832 0.19669 0.19669 1.00000
H7 H 0.19669 0.66832 0.19669 1.00000
H8 H 0.24313 0.24313 0.24313 1.00000
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