HfNbAl
Alexandria ALEXAlex-ID: agm005663222 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_703_spg2
Hf3NbAl2 Nb2Al
2023-06-16 20:55:39.036714
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663222).
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 agm005663222
data_agm005663222
_cell_length_a 2.92060
_cell_length_b 8.15340
_cell_length_c 7.79249
_cell_angle_alpha 41.17777
_cell_angle_beta 86.50449
_cell_angle_gamma 72.54614
_cell_volume 112.46550
_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
Hf1 Hf 0.66015 0.05959 0.94041 1.00000
Hf2 Hf 0.50645 0.59552 0.40448 1.00000
Nb1 Nb 0.26504 0.64589 0.99075 1.00000
Nb2 Nb 0.90168 0.00925 0.35411 1.00000
Al1 Al 0.23641 0.17451 0.51935 1.00000
Al2 Al 0.93027 0.48065 0.82549 1.00000
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