Ce(Nb3V)2
Alexandria ALEXAlex-ID: agm017744201 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_306_spg2
Nb17V NbV2 Ce
2024-10-15 09:20:12.841498
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017744201).
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
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# CIF generated by HEAS from Alexandria entry agm017744201
data_agm017744201
_cell_length_a 7.21254
_cell_length_b 7.21254
_cell_length_c 5.49738
_cell_angle_alpha 68.84268
_cell_angle_beta 68.84268
_cell_angle_gamma 37.50956
_cell_volume 160.98423
_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
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Nb1 Nb 0.77604 0.77604 0.60595 1.00000
Nb2 Nb 0.22396 0.22396 0.39405 1.00000
Nb3 Nb 0.32702 0.32702 0.84787 1.00000
Nb4 Nb 0.44297 0.44297 0.26748 1.00000
Nb5 Nb 0.55703 0.55703 0.73252 1.00000
Nb6 Nb 0.67298 0.67298 0.15213 1.00000
V1 V 0.89034 0.89034 0.06221 1.00000
V2 V 0.10966 0.10966 0.93779 1.00000
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