AlH6C
Alexandria ALEXAlex-ID: agm076187983 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_399_spg12
AlH3 H4C Al
2025-06-11 19:21:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076187983).
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 agm076187983
data_agm076187983
_cell_length_a 5.55840
_cell_length_b 3.13847
_cell_length_c 5.60058
_cell_angle_alpha 74.00734
_cell_angle_beta 66.94897
_cell_angle_gamma 73.42657
_cell_volume 84.66589
_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 0.18709 0.08348 0.81281 1.00000
H1 H 0.54308 0.57630 0.45436 1.00000
H2 H 0.83195 0.57114 0.17072 1.00000
H3 H 0.79169 0.06569 0.41607 1.00000
H4 H 0.58413 0.27286 0.20812 1.00000
H5 H 0.05884 0.66024 0.68808 1.00000
H6 H 0.31545 0.40788 0.93759 1.00000
C1 C 0.68777 0.36242 0.31226 1.00000
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