Ac4Ru2Br5
Alexandria ALEXAlex-ID: agm005684383 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_178_spg71
Ac3RuBr3 Ac2Ru2Br AcBr3
2023-06-21 10:22:43.987157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684383).
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 agm005684383
data_agm005684383
_cell_length_a 4.41846
_cell_length_b 8.81495
_cell_length_c 10.94183
_cell_angle_alpha 113.75391
_cell_angle_beta 101.64852
_cell_angle_gamma 89.99999
_cell_volume 380.45534
_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
Ac1 Ac 0.68464 0.68464 0.36928 1.00000
Ac2 Ac 1.00000 0.28225 1.00000 1.00000
Ac3 Ac 0.31536 0.31536 0.63072 1.00000
Ac4 Ac 0.00000 0.71775 0.00000 1.00000
Ru1 Ru 0.56178 0.56178 0.12355 1.00000
Ru2 Ru 0.43822 0.43822 0.87645 1.00000
Br1 Br 0.17460 0.39714 0.34920 1.00000
Br2 Br 0.82540 0.60286 0.65080 1.00000
Br3 Br 0.17460 0.95205 0.34920 1.00000
Br4 Br 0.50000 0.00000 0.00000 1.00000
Br5 Br 0.82540 0.04795 0.65080 1.00000
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