HoRuBr
Alexandria ALEXAlex-ID: agm005698765 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_317_spg166
Ho4Ru3 HoRu2 HoBr3
2023-06-17 01:13:04.343879
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698765).
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 agm005698765
data_agm005698765
_cell_length_a 4.14961
_cell_length_b 4.14961
_cell_length_c 11.53346
_cell_angle_alpha 79.63642
_cell_angle_beta 79.63643
_cell_angle_gamma 60.00001
_cell_volume 168.23921
_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
Ho1 Ho 0.44206 0.44206 0.67384 1.00000
Ho2 Ho 0.55794 0.55794 0.32616 1.00000
Ru1 Ru 0.16398 0.16398 0.50804 1.00000
Ru2 Ru 0.83602 0.83602 0.49196 1.00000
Br1 Br 0.72180 0.72180 0.83461 1.00000
Br2 Br 0.27820 0.27820 0.16539 1.00000
