Hf3Nb2Ga7
Alexandria ALEXAlex-ID: agm003350751 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_107_spg65
Hf2Ga3 Nb5Ga13 Nb3Ga2
2022-02-23 14:15:42.789710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003350751).
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 agm003350751
data_agm003350751
_cell_length_a 5.02932
_cell_length_b 4.80070
_cell_length_c 9.89440
_cell_angle_alpha 104.03984
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 231.75662
_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 0.50000 0.50000 0.00000 1.00000
Hf2 Hf 0.50000 0.66025 0.32049 1.00000
Hf3 Hf 0.50000 0.33975 0.67951 1.00000
Nb1 Nb 0.00000 0.85946 0.71892 1.00000
Nb2 Nb 0.00000 0.14054 0.28108 1.00000
Ga1 Ga 0.00000 0.42614 0.85229 1.00000
Ga2 Ga 0.00000 0.71784 0.43567 1.00000
Ga3 Ga 0.00000 0.00000 0.00000 1.00000
Ga4 Ga 0.00000 0.57386 0.14771 1.00000
Ga5 Ga 0.50000 0.08214 0.16429 1.00000
Ga6 Ga 0.50000 0.91786 0.83571 1.00000
Ga7 Ga 0.00000 0.28216 0.56433 1.00000
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