SrLi(AlH4)2
Alexandria ALEXAlex-ID: agm091296779 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1_spg5
Li3AlH6 SrAlH5 Al AlH3
2025-05-27 07:37:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091296779).
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 agm091296779
data_agm091296779
_cell_length_a 4.38617
_cell_length_b 4.38617
_cell_length_c 7.39961
_cell_angle_alpha 87.50211
_cell_angle_beta 92.49789
_cell_angle_gamma 111.57535
_cell_volume 132.19913
_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 0.00000 0.00000 0.50000 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.36910 0.63090 0.20360 1.00000
Al2 Al 0.63090 0.36910 0.79640 1.00000
H1 H 0.77456 0.75227 0.21014 1.00000
H2 H 0.22544 0.24773 0.78986 1.00000
H3 H 0.75227 0.77456 0.78986 1.00000
H4 H 0.24773 0.22544 0.21014 1.00000
H5 H 0.32728 0.67272 0.43083 1.00000
H6 H 0.67272 0.32728 0.56917 1.00000
H7 H 0.74219 0.25781 0.99375 1.00000
H8 H 0.25781 0.74219 0.00625 1.00000
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