Ho2ScSe3
Alexandria ALEXAlex-ID: agm034790909 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
ScSe HoSe
2025-04-15 09:23:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034790909).
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 agm034790909
data_agm034790909
_cell_length_a 13.18753
_cell_length_b 12.56891
_cell_length_c 6.94584
_cell_angle_alpha 79.33564
_cell_angle_beta 69.49294
_cell_angle_gamma 31.17143
_cell_volume 542.30324
_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 0.99872 0.99872 0.50128 1.00000
Ho2 Ho 0.41893 0.41893 0.58107 1.00000
Ho3 Ho 0.83107 0.83107 0.66893 1.00000
Ho4 Ho 0.25128 0.25128 0.74872 1.00000
Ho5 Ho 0.74872 0.74872 0.25128 1.00000
Ho6 Ho 0.66893 0.66893 0.83107 1.00000
Ho7 Ho 0.58107 0.58107 0.41893 1.00000
Ho8 Ho 0.50128 0.50128 0.99872 1.00000
Sc1 Sc 0.91812 0.91812 0.08188 1.00000
Sc2 Sc 0.33188 0.33188 0.16812 1.00000
Sc3 Sc 0.16812 0.16812 0.33188 1.00000
Sc4 Sc 0.08188 0.08188 0.91812 1.00000
Se1 Se 0.66354 0.16512 0.84571 1.00000
Se2 Se 0.16512 0.66354 0.32563 1.00000
Se3 Se 0.58646 0.08488 0.40429 1.00000
Se4 Se 0.08488 0.58646 0.92437 1.00000
Se5 Se 0.48925 0.01075 0.01075 1.00000
Se6 Se 0.01075 0.48925 0.48925 1.00000
Se7 Se 0.92437 0.40429 0.08488 1.00000
Se8 Se 0.40429 0.92437 0.58646 1.00000
Se9 Se 0.32563 0.84571 0.16512 1.00000
Se10 Se 0.84571 0.32563 0.66354 1.00000
Se11 Se 0.76075 0.23925 0.23925 1.00000
Se12 Se 0.23925 0.76075 0.76075 1.00000
