Sc2Al2H5
Alexandria ALEXAlex-ID: agm007189595 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_378_spg12
ScH3 Al ScH2
2025-05-27 17:12:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007189595).
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 agm007189595
data_agm007189595
_cell_length_a 5.60661
_cell_length_b 5.60661
_cell_length_c 5.02072
_cell_angle_alpha 90.45419
_cell_angle_beta 89.54581
_cell_angle_gamma 146.55662
_cell_volume 86.97443
_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
Sc1 Sc 0.83284 0.16716 0.26453 1.00000
Sc2 Sc 0.16716 0.83284 0.73547 1.00000
Al1 Al 0.56171 0.43829 0.27888 1.00000
Al2 Al 0.43829 0.56171 0.72112 1.00000
H1 H 0.67694 0.32306 0.01339 1.00000
H2 H 0.32306 0.67694 0.98661 1.00000
H3 H 0.78350 0.21650 0.64566 1.00000
H4 H 0.21650 0.78350 0.35434 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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