Al2CuSnH8
Alexandria ALEXAlex-ID: agm007484666 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_4_spg155
AlH3 Al4Cu9 AlH9 SnH2
2024-02-09 04:46:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007484666).
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 agm007484666
data_agm007484666
_cell_length_a 4.73347
_cell_length_b 5.02022
_cell_length_c 7.26266
_cell_angle_alpha 87.15771
_cell_angle_beta 110.78895
_cell_angle_gamma 127.41863
_cell_volume 124.89785
_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 0.37414 0.65402 0.20478 1.00000
Al2 Al 0.62586 0.34598 0.79522 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.00000 0.50000 0.50000 1.00000
H1 H 0.66238 0.93535 0.43227 1.00000
H2 H 0.65439 0.88207 0.08181 1.00000
H3 H 0.33762 0.06465 0.56773 1.00000
H4 H 0.99959 0.67199 0.10816 1.00000
H5 H 0.00041 0.32801 0.89184 1.00000
H6 H 0.39381 0.32392 0.23941 1.00000
H7 H 0.60619 0.67608 0.76059 1.00000
H8 H 0.34561 0.11793 0.91819 1.00000
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