SmAlH6
Alexandria ALEXAlex-ID: agm076014432 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_23_spg12
SmH3 AlH3
2025-05-27 17:50:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076014432).
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 agm076014432
data_agm076014432
_cell_length_a 3.99671
_cell_length_b 3.99671
_cell_length_c 4.62401
_cell_angle_alpha 80.57145
_cell_angle_beta 99.42855
_cell_angle_gamma 84.23528
_cell_volume 71.26289
_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
Sm1 Sm 0.78851 0.21149 0.73656 1.00000
Al1 Al 0.17315 0.82685 0.32328 1.00000
H1 H 0.61435 0.77122 0.48272 1.00000
H2 H 0.22878 0.38565 0.48272 1.00000
H3 H 0.82862 0.17138 0.24632 1.00000
H4 H 0.15776 0.84224 0.68161 1.00000
H5 H 0.90888 0.69154 0.02780 1.00000
H6 H 0.30846 0.09112 0.02780 1.00000
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