Ho3AlSi3
Alexandria ALEXAlex-ID: agm044220591 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_63_spg63
Ho3AlSi3
2024-12-25 17:01:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044220591).
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 agm044220591
data_agm044220591
_cell_length_a 5.59999
_cell_length_b 5.59999
_cell_length_c 13.37267
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 136.93951
_cell_volume 286.32976
_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
Ho1 Ho 0.29819 0.70181 0.89859 1.00000
Ho2 Ho 0.70181 0.29819 0.10141 1.00000
Ho3 Ho 0.29819 0.70181 0.60141 1.00000
Ho4 Ho 0.70181 0.29819 0.39859 1.00000
Ho5 Ho 0.00979 0.99021 0.75000 1.00000
Ho6 Ho 0.99021 0.00979 0.25000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.00000 0.00000 0.50000 1.00000
Si1 Si 0.58855 0.41145 0.89682 1.00000
Si2 Si 0.41145 0.58855 0.10318 1.00000
Si3 Si 0.58855 0.41145 0.60318 1.00000
Si4 Si 0.41145 0.58855 0.39682 1.00000
Si5 Si 0.72769 0.27231 0.75000 1.00000
Si6 Si 0.27231 0.72769 0.25000 1.00000
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