BPtAu
Alexandria ALEXAlex-ID: agm002129018 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3517_spg8
BPt2 B Au
2021-09-28 07:33:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002129018).
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 agm002129018
data_agm002129018
_cell_length_a 5.27689
_cell_length_b 3.19125
_cell_length_c 10.34119
_cell_angle_alpha 90.00000
_cell_angle_beta 90.60982
_cell_angle_gamma 90.00000
_cell_volume 174.13428
_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
B1 B 0.49699 0.00000 0.74441 1.00000
B2 B 0.49699 0.50000 0.24441 1.00000
B3 B 0.59990 0.00000 0.91328 1.00000
B4 B 0.59990 0.50000 0.41328 1.00000
Au1 Au 0.96822 0.00000 0.01179 1.00000
Au2 Au 0.96822 0.50000 0.51179 1.00000
Au3 Au 0.92331 0.00000 0.74073 1.00000
Au4 Au 0.92331 0.50000 0.24073 1.00000
Pt1 Pt 0.46268 0.00000 0.10721 1.00000
Pt2 Pt 0.46268 0.50000 0.60721 1.00000
Pt3 Pt 0.33524 0.00000 0.36910 1.00000
Pt4 Pt 0.33524 0.50000 0.86910 1.00000
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