Nb2Ga2Pt3
Alexandria ALEXAlex-ID: agm010028591 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_511_spg166
Nb2GaPt3 Ga2Pt NbGaPt
2024-03-25 15:32:26.616501
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010028591).
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 agm010028591
data_agm010028591
_cell_length_a 5.01065
_cell_length_b 5.01065
_cell_length_c 6.24214
_cell_angle_alpha 74.91272
_cell_angle_beta 74.91272
_cell_angle_gamma 50.33664
_cell_volume 115.54632
_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 0.37464 0.37464 0.25538 1.00000
Nb2 Nb 0.62536 0.62536 0.74462 1.00000
Ga1 Ga 0.10734 0.10734 0.08247 1.00000
Ga2 Ga 0.89266 0.89266 0.91753 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
Pt2 Pt 0.31724 0.31724 0.71820 1.00000
Pt3 Pt 0.68276 0.68276 0.28180 1.00000
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