In7Sb4Se13
Alexandria ALEXAlex-ID: agm008587446 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7C13_3_spg12
In2Se3 Sb2Se3 Sb
2024-04-24 01:31:01.615999
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008587446).
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 agm008587446
data_agm008587446
_cell_length_a 7.16170
_cell_length_b 7.16170
_cell_length_c 23.43990
_cell_angle_alpha 82.24839
_cell_angle_beta 82.24839
_cell_angle_gamma 33.58116
_cell_volume 658.34338
_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
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.35111 0.35111 0.53685 1.00000
In3 In 0.64889 0.64889 0.46315 1.00000
In4 In 0.99686 0.99686 0.83925 1.00000
In5 In 0.00314 0.00314 0.16075 1.00000
In6 In 0.75776 0.75776 0.72722 1.00000
In7 In 0.24224 0.24224 0.27278 1.00000
Sb1 Sb 0.25431 0.25431 0.91351 1.00000
Sb2 Sb 0.74569 0.74569 0.08649 1.00000
Sb3 Sb 0.05287 0.05287 0.62323 1.00000
Sb4 Sb 0.94713 0.94713 0.37677 1.00000
Se1 Se 0.86821 0.86821 0.95700 1.00000
Se2 Se 0.13179 0.13179 0.04300 1.00000
Se3 Se 0.62011 0.62011 0.87449 1.00000
Se4 Se 0.37989 0.37989 0.12551 1.00000
Se5 Se 0.71787 0.71787 0.57227 1.00000
Se6 Se 0.28213 0.28213 0.42773 1.00000
Se7 Se 0.37254 0.37254 0.81280 1.00000
Se8 Se 0.62746 0.62746 0.18720 1.00000
Se9 Se 0.41926 0.41926 0.64542 1.00000
Se10 Se 0.58074 0.58074 0.35458 1.00000
Se11 Se 0.00000 0.00000 0.50000 1.00000
Se12 Se 0.10428 0.10428 0.72942 1.00000
Se13 Se 0.89572 0.89572 0.27058 1.00000
