Ho8Zn3Se4S
Alexandria ALEXAlex-ID: agm004720191 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_70_spg166
Ho2SeS Ho5ZnSe4 HoZn
2022-07-14 08:34:15.644789
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004720191).
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 agm004720191
data_agm004720191
_cell_length_a 7.98027
_cell_length_b 8.28319
_cell_length_c 7.98036
_cell_angle_alpha 118.79900
_cell_angle_beta 119.99963
_cell_angle_gamma 90.00000
_cell_volume 379.64279
_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 0.24609 0.74423 0.99807 1.00000
Ho2 Ho 0.24613 0.74423 0.49226 1.00000
Ho3 Ho 0.24877 0.24630 0.49753 1.00000
Ho4 Ho 0.75197 0.74423 0.99807 1.00000
Ho5 Ho 0.24803 0.25577 0.00193 1.00000
Ho6 Ho 0.75123 0.75370 0.50247 1.00000
Ho7 Ho 0.75387 0.25577 0.50774 1.00000
Ho8 Ho 0.75391 0.25577 0.00193 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Zn2 Zn 0.50000 0.50000 0.50000 1.00000
Zn3 Zn 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.50000 0.00000 0.00000 1.00000
Se2 Se 0.50000 0.00000 0.50000 1.00000
Se3 Se 0.00000 0.00000 0.00000 1.00000
Se4 Se 0.00000 0.00000 0.50000 1.00000
S1 S 0.00000 0.50000 0.00000 1.00000
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