Ga5IrPt2
Alexandria ALEXAlex-ID: agm005891052 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_989_spg62
Ga2Pt Ga5Ir3 GaPt
2023-09-08 13:30:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005891052).
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 agm005891052
data_agm005891052
_cell_length_a 7.36189
_cell_length_b 5.79746
_cell_length_c 12.51887
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 534.30852
_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
Ga1 Ga 0.10204 0.25000 0.50334 1.00000
Ga2 Ga 0.89796 0.75000 0.49666 1.00000
Ga3 Ga 0.60204 0.75000 0.99666 1.00000
Ga4 Ga 0.39796 0.25000 0.00334 1.00000
Ga5 Ga 0.33959 0.98778 0.63652 1.00000
Ga6 Ga 0.66041 0.01222 0.36348 1.00000
Ga7 Ga 0.83959 0.01222 0.86348 1.00000
Ga8 Ga 0.66041 0.48778 0.36348 1.00000
Ga9 Ga 0.16041 0.98778 0.13652 1.00000
Ga10 Ga 0.33959 0.51222 0.63652 1.00000
Ga11 Ga 0.16041 0.51222 0.13652 1.00000
Ga12 Ga 0.83959 0.48778 0.86348 1.00000
Ga13 Ga 0.18173 0.25000 0.80444 1.00000
Ga14 Ga 0.81827 0.75000 0.19556 1.00000
Ga15 Ga 0.68173 0.75000 0.69556 1.00000
Ga16 Ga 0.31827 0.25000 0.30444 1.00000
Ga17 Ga 0.70949 0.25000 0.62566 1.00000
Ga18 Ga 0.29051 0.75000 0.37434 1.00000
Ga19 Ga 0.20949 0.75000 0.87434 1.00000
Ga20 Ga 0.79051 0.25000 0.12566 1.00000
Ir1 Ir 0.46215 0.25000 0.49016 1.00000
Ir2 Ir 0.53785 0.75000 0.50984 1.00000
Ir3 Ir 0.96215 0.75000 0.00984 1.00000
Ir4 Ir 0.03785 0.25000 0.99016 1.00000
Pt1 Pt 0.48900 0.49313 0.83278 1.00000
Pt2 Pt 0.51100 0.50687 0.16722 1.00000
Pt3 Pt 0.98900 0.50687 0.66722 1.00000
Pt4 Pt 0.51100 0.99313 0.16722 1.00000
Pt5 Pt 0.01100 0.49313 0.33278 1.00000
Pt6 Pt 0.48900 0.00687 0.83278 1.00000
Pt7 Pt 0.01100 0.00687 0.33278 1.00000
Pt8 Pt 0.98900 0.99313 0.66722 1.00000
