Ho6BSe3S2
Alexandria ALEXAlex-ID: agm082322326 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_242_spg12
Ho6BSe3S2
2025-02-22 19:31:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm082322326).
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 agm082322326
data_agm082322326
_cell_length_a 6.81621
_cell_length_b 6.81621
_cell_length_c 6.96059
_cell_angle_alpha 80.57822
_cell_angle_beta 99.42178
_cell_angle_gamma 60.13121
_cell_volume 265.04314
_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 0.61541 0.07325 0.27953 1.00000
Ho2 Ho 0.38459 0.92675 0.72047 1.00000
Ho3 Ho 0.07325 0.61541 0.72047 1.00000
Ho4 Ho 0.92675 0.38459 0.27953 1.00000
Ho5 Ho 0.23526 0.76474 0.27655 1.00000
Ho6 Ho 0.76474 0.23526 0.72345 1.00000
B1 B 0.00000 0.00000 0.50000 1.00000
Se1 Se 0.82753 0.82753 0.00000 1.00000
Se2 Se 0.17247 0.17247 0.00000 1.00000
Se3 Se 0.50000 0.50000 0.00000 1.00000
S1 S 0.66569 0.66569 0.50000 1.00000
S2 S 0.33431 0.33431 0.50000 1.00000
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