Ho4Sb3Se
Alexandria ALEXAlex-ID: agm006014374 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_3_spg139
Ho4Sb3Se
2023-10-05 13:51:56.227387
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014374).
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 agm006014374
data_agm006014374
_cell_length_a 6.08828
_cell_length_b 6.08828
_cell_length_c 7.44153
_cell_angle_alpha 114.14657
_cell_angle_beta 114.14656
_cell_angle_gamma 90.00035
_cell_volume 224.99139
_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
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Sb2 Sb 0.75000 0.25000 0.50000 1.00000
Sb3 Sb 0.25000 0.75000 0.50000 1.00000
Ho1 Ho 1.00000 0.50000 1.00000 1.00000
Ho2 Ho 0.50000 1.00000 1.00000 1.00000
Ho3 Ho 0.24587 0.24587 0.49174 1.00000
Ho4 Ho 0.75413 0.75413 0.50827 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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