Y4Hf3Al4
Alexandria ALEXAlex-ID: agm009864017 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_29_spg12
Hf3Al Y2Al YAl
2024-05-28 07:45:21.135259
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009864017).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm009864017
data_agm009864017
_cell_length_a 17.77108
_cell_length_b 17.77108
_cell_length_c 3.34801
_cell_angle_alpha 79.14172
_cell_angle_beta 79.14172
_cell_angle_gamma 14.19558
_cell_volume 254.57932
_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
Y1 Y 0.44956 0.44956 0.60126 1.00000
Y2 Y 0.55044 0.55044 0.39874 1.00000
Y3 Y 0.19285 0.19285 0.61397 1.00000
Y4 Y 0.80715 0.80715 0.38603 1.00000
Hf1 Hf 0.35969 0.35969 0.78098 1.00000
Hf2 Hf 0.64031 0.64031 0.21902 1.00000
Hf3 Hf 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.90033 0.90033 0.19992 1.00000
Al2 Al 0.72735 0.72735 0.04492 1.00000
Al3 Al 0.27265 0.27265 0.95508 1.00000
Al4 Al 0.09967 0.09967 0.80008 1.00000
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