Ho2SeI3
Alexandria ALEXAlex-ID: agm003428645 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_463_spg12
Ho5Se6 Ho2SeI2 HoI3
2022-02-14 14:20:00.777863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003428645).
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 agm003428645
data_agm003428645
_cell_length_a 4.19025
_cell_length_b 10.97835
_cell_length_c 11.07989
_cell_angle_alpha 84.05159
_cell_angle_beta 79.10017
_cell_angle_gamma 78.99811
_cell_volume 490.09564
_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 0.86816 0.43515 0.82853 1.00000
Ho2 Ho 0.13184 0.56485 0.17147 1.00000
Ho3 Ho 0.57710 0.31089 0.53490 1.00000
Ho4 Ho 0.42290 0.68911 0.46510 1.00000
Se1 Se 0.39830 0.52307 0.68033 1.00000
Se2 Se 0.60170 0.47693 0.31967 1.00000
I1 I 0.04476 0.18442 0.72606 1.00000
I2 I 0.95524 0.81558 0.27394 1.00000
I3 I 0.67558 0.67294 0.97590 1.00000
I4 I 0.32442 0.32706 0.02410 1.00000
I5 I 0.78186 0.82172 0.61456 1.00000
I6 I 0.21814 0.17828 0.38544 1.00000
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