Nb8In6S
Alexandria ALEXAlex-ID: agm072708962 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
Nb14S5 Nb7In In
2024-10-11 19:58:31.310552
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072708962).
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 agm072708962
data_agm072708962
_cell_length_a 6.99137
_cell_length_b 6.99137
_cell_length_c 6.99137
_cell_angle_alpha 70.91888
_cell_angle_beta 70.91888
_cell_angle_gamma 70.91888
_cell_volume 295.80440
_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
Nb1 Nb 0.26074 0.26074 0.26074 1.00000
Nb2 Nb 0.73926 0.73926 0.73926 1.00000
Nb3 Nb 0.88299 0.05459 0.35494 1.00000
Nb4 Nb 0.35494 0.88299 0.05459 1.00000
Nb5 Nb 0.05459 0.35494 0.88299 1.00000
Nb6 Nb 0.11701 0.94541 0.64506 1.00000
Nb7 Nb 0.64506 0.11701 0.94541 1.00000
Nb8 Nb 0.94541 0.64506 0.11701 1.00000
In1 In 0.16341 0.61863 0.44975 1.00000
In2 In 0.44975 0.16341 0.61863 1.00000
In3 In 0.61863 0.44975 0.16341 1.00000
In4 In 0.83659 0.38137 0.55025 1.00000
In5 In 0.55025 0.83659 0.38137 1.00000
In6 In 0.38137 0.55025 0.83659 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
Get direct link