Nb3Ga4
Alexandria ALEXAlex-ID: agm003290276 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_106_spg139
Nb5Ga13 Nb3Ga2
2022-01-16 15:33:17.416777
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003290276).
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 agm003290276
data_agm003290276
_cell_length_a 3.38236
_cell_length_b 3.38236
_cell_length_c 10.81716
_cell_angle_alpha 98.99465
_cell_angle_beta 98.99467
_cell_angle_gamma 90.00000
_cell_volume 120.68949
_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
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.28204 0.28204 0.56409 1.00000
Nb3 Nb 0.71796 0.71796 0.43591 1.00000
Ga1 Ga 0.14416 0.14416 0.28832 1.00000
Ga2 Ga 0.42117 0.42117 0.84233 1.00000
Ga3 Ga 0.57883 0.57883 0.15767 1.00000
Ga4 Ga 0.85584 0.85584 0.71168 1.00000
Get direct link