Ho3TePSe
Alexandria ALEXAlex-ID: agm005028752 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_387_spg15
Ho2TeP Ho2TeSe Ho3PSe2
2022-07-07 05:18:42.645543
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005028752).
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 agm005028752
data_agm005028752
_cell_length_a 6.79985
_cell_length_b 6.90125
_cell_length_c 8.00544
_cell_angle_alpha 64.46671
_cell_angle_beta 82.57008
_cell_angle_gamma 72.54202
_cell_volume 323.37009
_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 0.49787 0.83463 0.86306 1.00000
Ho2 Ho 0.00213 0.30232 0.86306 1.00000
Ho3 Ho 0.75000 0.24513 0.50975 1.00000
Ho4 Ho 0.50213 0.16537 0.13694 1.00000
Ho5 Ho 0.99787 0.69768 0.13694 1.00000
Ho6 Ho 0.25000 0.75487 0.49025 1.00000
Te1 Te 0.25000 0.25150 0.49701 1.00000
Te2 Te 0.75000 0.74850 0.50299 1.00000
P1 P 0.75000 0.06187 0.87627 1.00000
P2 P 0.25000 0.93813 0.12373 1.00000
Se1 Se 0.25000 0.56185 0.87630 1.00000
Se2 Se 0.75000 0.43815 0.12370 1.00000
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