Al2AsH7
Alexandria ALEXAlex-ID: agm006201952 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_900_spg2
AlH9 AlAs AlH3
2023-10-15 21:55:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201952).
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 agm006201952
data_agm006201952
_cell_length_a 7.60612
_cell_length_b 6.42342
_cell_length_c 9.76319
_cell_angle_alpha 53.92897
_cell_angle_beta 19.12060
_cell_angle_gamma 60.39677
_cell_volume 122.74396
_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
H1 H 0.47345 0.50078 0.38989 1.00000
H2 H 0.94347 0.78064 0.42060 1.00000
H3 H 0.73375 0.19006 0.26449 1.00000
H4 H 0.30036 0.77980 0.68452 1.00000
H5 H 0.31235 0.48232 0.14172 1.00000
H6 H 0.32829 0.61357 0.45834 1.00000
H7 H 0.83191 0.19363 0.77295 1.00000
As1 As 0.79702 0.98869 0.18598 1.00000
Al1 Al 0.52110 0.82067 0.85593 1.00000
Al2 Al 0.25831 0.14985 0.32558 1.00000
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