Ho4S3N2
Alexandria ALEXAlex-ID: agm005643766 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_572_spg12
Ho4S3N2
2023-06-27 18:29:13.397417
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643766).
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 agm005643766
data_agm005643766
_cell_length_a 3.80822
_cell_length_b 6.70940
_cell_length_c 7.96491
_cell_angle_alpha 83.65249
_cell_angle_beta 76.16879
_cell_angle_gamma 73.51302
_cell_volume 189.28515
_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 0.76016 0.12800 0.35167 1.00000
Ho2 Ho 0.23984 0.87200 0.64833 1.00000
Ho3 Ho 0.43682 0.27232 0.85404 1.00000
Ho4 Ho 0.56318 0.72768 0.14596 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
S2 S 0.17322 0.43700 0.21655 1.00000
S3 S 0.82678 0.56300 0.78345 1.00000
N1 N 0.64364 0.07450 0.63822 1.00000
N2 N 0.35636 0.92550 0.36178 1.00000
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