Nb2Cr(SnSe3)2
Alexandria ALEXAlex-ID: agm004583705 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_25_spg12
Nb4CrSe8 Cr2Se3 Sn SnSe
2022-06-23 13:39:00.057596
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004583705).
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 agm004583705
data_agm004583705
_cell_length_a 6.26858
_cell_length_b 6.26858
_cell_length_c 9.11047
_cell_angle_alpha 103.23282
_cell_angle_beta 103.23282
_cell_angle_gamma 121.65688
_cell_volume 269.03472
_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 0.36691 0.63309 0.50000 1.00000
Nb2 Nb 0.63309 0.36691 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.78553 0.21447 0.00000 1.00000
Sn2 Sn 0.21447 0.78553 0.00000 1.00000
Se1 Se 0.84709 0.84709 0.72123 1.00000
Se2 Se 0.11219 0.44904 0.67998 1.00000
Se3 Se 0.15291 0.15291 0.27877 1.00000
Se4 Se 0.44904 0.11219 0.67998 1.00000
Se5 Se 0.88781 0.55096 0.32002 1.00000
Se6 Se 0.55096 0.88781 0.32002 1.00000
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