Ba3Ga8Pt3
Alexandria ALEXAlex-ID: agm005685697 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
BaGa3Pt BaGaPt
2023-06-29 10:46:11.302399
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685697).
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 agm005685697
data_agm005685697
_cell_length_a 4.68610
_cell_length_b 8.70915
_cell_length_c 8.91983
_cell_angle_alpha 63.41409
_cell_angle_beta 74.77094
_cell_angle_gamma 74.39328
_cell_volume 309.23379
_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
Ba1 Ba 0.29043 0.72936 0.68979 1.00000
Ba2 Ba 0.70957 0.27064 0.31021 1.00000
Ba3 Ba 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.12576 0.16354 0.58493 1.00000
Ga2 Ga 0.87424 0.83646 0.41507 1.00000
Ga3 Ga 0.84554 0.44194 0.86698 1.00000
Ga4 Ga 0.15446 0.55806 0.13302 1.00000
Ga5 Ga 0.51031 0.66156 0.31782 1.00000
Ga6 Ga 0.48969 0.33844 0.68218 1.00000
Ga7 Ga 0.34930 0.02297 0.27843 1.00000
Ga8 Ga 0.65070 0.97703 0.72157 1.00000
Pt1 Pt 0.00000 0.50000 0.50000 1.00000
Pt2 Pt 0.65368 0.69036 0.00227 1.00000
Pt3 Pt 0.34632 0.30964 0.99773 1.00000
Get direct link