Nb(V3Ge2)2
Alexandria ALEXAlex-ID: agm003661271 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
NbVGe V5Ge3
2022-04-26 12:47:09.720609
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661271).
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 agm003661271
data_agm003661271
_cell_length_a 6.37168
_cell_length_b 6.37168
_cell_length_c 6.37168
_cell_angle_alpha 91.28257
_cell_angle_beta 119.26229
_cell_angle_gamma 119.26229
_cell_volume 184.90321
_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
V1 V 1.00000 0.77970 0.50255 1.00000
V2 V 1.00000 0.50255 0.77970 1.00000
V3 V 0.72286 0.22030 0.22030 1.00000
V4 V 0.50000 0.00000 0.50000 1.00000
V5 V 0.27714 0.49745 0.49745 1.00000
V6 V 0.50000 0.50000 0.00000 1.00000
Ge1 Ge 0.00000 0.14653 0.61865 1.00000
Ge2 Ge 0.52788 0.38135 0.38135 1.00000
Ge3 Ge 0.00000 0.61865 0.14653 1.00000
Ge4 Ge 0.47212 0.85347 0.85347 1.00000
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