NbSbSe4
Alexandria ALEXAlex-ID: agm005936751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1490_spg12
NbSe3 Sb2Se3 NbSe2
2023-07-31 07:19:16.785642
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005936751).
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 agm005936751
data_agm005936751
_cell_length_a 3.74634
_cell_length_b 7.65941
_cell_length_c 6.82814
_cell_angle_alpha 117.67251
_cell_angle_beta 89.99998
_cell_angle_gamma 104.10008
_cell_volume 166.82623
_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 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.00000 0.50000 1.00000
Se1 Se 0.88001 0.75908 0.57191 1.00000
Se2 Se 0.11999 0.24092 0.42809 1.00000
Se3 Se 0.38333 0.76561 0.03695 1.00000
Se4 Se 0.61667 0.23439 0.96305 1.00000
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