Pr4RuBr5
Alexandria ALEXAlex-ID: agm003655656 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_185_spg12
Pr6RuBr10 Pr3RuBr3 Pr
2022-04-06 05:22:15.403906
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003655656).
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 agm003655656
data_agm003655656
_cell_length_a 4.17819
_cell_length_b 9.07420
_cell_length_c 9.68890
_cell_angle_alpha 104.54397
_cell_angle_beta 102.45177
_cell_angle_gamma 90.00000
_cell_volume 346.63705
_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
Pr1 Pr 0.35352 0.91692 0.70705 1.00000
Pr2 Pr 0.99926 0.77613 0.99851 1.00000
Pr3 Pr 0.64648 0.08308 0.29295 1.00000
Pr4 Pr 0.00074 0.22387 0.00149 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Br1 Br 0.83203 0.66432 0.66406 1.00000
Br2 Br 0.82831 0.15230 0.65663 1.00000
Br3 Br 0.17169 0.84770 0.34337 1.00000
Br4 Br 0.50000 0.50000 0.00000 1.00000
Br5 Br 0.16797 0.33568 0.33594 1.00000
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