Al6ZnH8
Alexandria ALEXAlex-ID: agm006609484 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_3_spg148
Al6Zn Al3Zn4 AlH3
2024-08-07 23:12:26.766491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006609484).
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 agm006609484
data_agm006609484
_cell_length_a 5.34849
_cell_length_b 5.34849
_cell_length_c 5.34849
_cell_angle_alpha 98.53451
_cell_angle_beta 98.53451
_cell_angle_gamma 98.53451
_cell_volume 147.34161
_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
Al1 Al 0.76009 0.41302 0.86792 1.00000
Al2 Al 0.41302 0.86792 0.76009 1.00000
Al3 Al 0.86792 0.76009 0.41302 1.00000
Al4 Al 0.23991 0.58698 0.13208 1.00000
Al5 Al 0.58698 0.13208 0.23991 1.00000
Al6 Al 0.13208 0.23991 0.58698 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
H1 H 0.69566 0.69566 0.69566 1.00000
H2 H 0.30434 0.30434 0.30434 1.00000
H3 H 0.51295 0.82661 0.35054 1.00000
H4 H 0.82661 0.35054 0.51295 1.00000
H5 H 0.35054 0.51295 0.82661 1.00000
H6 H 0.48705 0.17339 0.64946 1.00000
H7 H 0.17339 0.64946 0.48705 1.00000
H8 H 0.64946 0.48705 0.17339 1.00000
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