Ho3Se3N
Alexandria ALEXAlex-ID: agm005245505 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_158_spg15
Ho3Se3N
2022-12-13 01:32:02.798645
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245505).
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 agm005245505
data_agm005245505
_cell_length_a 7.69279
_cell_length_b 7.69279
_cell_length_c 12.56519
_cell_angle_alpha 73.05531
_cell_angle_beta 73.05531
_cell_angle_gamma 82.49864
_cell_volume 679.58692
_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 0.75260 0.60918 0.61274 1.00000
Ho2 Ho 0.06293 0.78757 0.12291 1.00000
Ho3 Ho 0.21243 0.93707 0.37709 1.00000
Ho4 Ho 0.66041 0.97816 0.38304 1.00000
Ho5 Ho 0.93707 0.21243 0.87709 1.00000
Ho6 Ho 0.39082 0.24740 0.88726 1.00000
Ho7 Ho 0.78757 0.06293 0.62291 1.00000
Ho8 Ho 0.60918 0.75260 0.11274 1.00000
Ho9 Ho 0.02184 0.33959 0.11696 1.00000
Ho10 Ho 0.24740 0.39082 0.38726 1.00000
Ho11 Ho 0.97816 0.66041 0.88304 1.00000
Ho12 Ho 0.33959 0.02184 0.61696 1.00000
Se1 Se 0.92714 0.21822 0.37320 1.00000
Se2 Se 0.33401 0.50502 0.14095 1.00000
Se3 Se 0.50502 0.33401 0.64095 1.00000
Se4 Se 0.69266 0.95835 0.87217 1.00000
Se5 Se 0.21822 0.92714 0.87320 1.00000
Se6 Se 0.07286 0.78178 0.62680 1.00000
Se7 Se 0.04165 0.30734 0.62783 1.00000
Se8 Se 0.78178 0.07286 0.12680 1.00000
Se9 Se 0.30734 0.04165 0.12783 1.00000
Se10 Se 0.66599 0.49498 0.85905 1.00000
Se11 Se 0.95835 0.69266 0.37217 1.00000
Se12 Se 0.49498 0.66599 0.35905 1.00000
N1 N 0.10958 0.37553 0.92407 1.00000
N2 N 0.62447 0.89042 0.57593 1.00000
N3 N 0.37553 0.10958 0.42407 1.00000
N4 N 0.89042 0.62447 0.07593 1.00000
