BRuAu
Alexandria ALEXAlex-ID: agm002256304 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_235_spg43
BRu Au
2019-01-04 17:54:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002256304).
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 agm002256304
data_agm002256304
_cell_length_a 5.70580
_cell_length_b 5.70585
_cell_length_c 6.13594
_cell_angle_alpha 109.24849
_cell_angle_beta 109.24808
_cell_angle_gamma 106.92910
_cell_volume 159.13108
_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
Ru1 Ru 0.10783 0.62408 0.23052 1.00000
Ru2 Ru 0.37409 0.35783 0.73052 1.00000
Ru3 Ru 0.62730 0.64351 0.26948 1.00000
Ru4 Ru 0.39351 0.87730 0.76948 1.00000
B1 B 0.07216 0.92881 0.51543 1.00000
B2 B 0.67879 0.32215 0.01543 1.00000
B3 B 0.41329 0.55673 0.48454 1.00000
B4 B 0.30674 0.66330 0.98454 1.00000
Au1 Au 0.90829 0.11509 0.23265 1.00000
Au2 Au 0.42568 0.13244 0.26738 1.00000
Au3 Au 0.86509 0.15829 0.73265 1.00000
Au4 Au 0.88243 0.67567 0.76738 1.00000
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