Ba5Pt2Au5
Alexandria ALEXAlex-ID: agm005660144 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_19_spg12
Ba2Pt3 BaAu2 BaAu
2023-06-18 20:51:27.251530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005660144).
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 agm005660144
data_agm005660144
_cell_length_a 4.61723
_cell_length_b 8.78461
_cell_length_c 9.85184
_cell_angle_alpha 85.48159
_cell_angle_beta 76.44767
_cell_angle_gamma 74.76358
_cell_volume 374.75160
_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 0.00000 0.50000 0.50000 1.00000
Ba2 Ba 0.69922 0.68728 0.91428 1.00000
Ba3 Ba 0.38051 0.92017 0.31881 1.00000
Ba4 Ba 0.61949 0.07983 0.68119 1.00000
Ba5 Ba 0.30078 0.31272 0.08572 1.00000
Pt1 Pt 0.38738 0.46443 0.76081 1.00000
Pt2 Pt 0.61262 0.53557 0.23919 1.00000
Au1 Au 0.70759 0.23053 0.35429 1.00000
Au2 Au 0.93862 0.29047 0.83229 1.00000
Au3 Au 0.06138 0.70953 0.16771 1.00000
Au4 Au 0.29241 0.76947 0.64571 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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