Ho6BTe3Se2
Alexandria ALEXAlex-ID: agm036624759 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_251_spg12
Ho6BTe5 Ho6BSe5
2025-02-28 11:18:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036624759).
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 agm036624759
data_agm036624759
_cell_length_a 9.42119
_cell_length_b 9.42119
_cell_length_c 8.48234
_cell_angle_alpha 75.64092
_cell_angle_beta 104.35908
_cell_angle_gamma 155.06076
_cell_volume 307.04785
_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 0.35802 0.64198 0.41945 1.00000
Ho2 Ho 0.66745 0.33255 0.06613 1.00000
Ho3 Ho 0.64198 0.35802 0.58055 1.00000
Ho4 Ho 0.00107 0.99893 0.70185 1.00000
Ho5 Ho 0.99893 0.00107 0.29815 1.00000
Ho6 Ho 0.33255 0.66745 0.93387 1.00000
B1 B 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.82542 0.17458 0.66474 1.00000
Te3 Te 0.17458 0.82542 0.33526 1.00000
Se1 Se 0.83202 0.16798 0.16908 1.00000
Se2 Se 0.16798 0.83202 0.83092 1.00000
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