Ho2CuBr2
Alexandria ALEXAlex-ID: agm005968435 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_109_spg166
Ho HoCu HoBr3
2023-08-03 15:38:11.467250
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005968435).
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
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# CIF generated by HEAS from Alexandria entry agm005968435
data_agm005968435
_cell_length_a 3.89339
_cell_length_b 3.89339
_cell_length_c 11.43323
_cell_angle_alpha 80.19668
_cell_angle_beta 80.19668
_cell_angle_gamma 59.99998
_cell_volume 147.16179
_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 0.61594 0.61594 0.15219 1.00000
Ho2 Ho 0.38406 0.38406 0.84781 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.22635 0.22635 0.32094 1.00000
Br2 Br 0.77365 0.77365 0.67906 1.00000
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