Nb(V2Mo)6
Alexandria ALEXAlex-ID: agm006118823 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_343_spg2
V5Mo V3Mo2 NbV2
2023-08-30 06:36:19.105046
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118823).
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 agm006118823
data_agm006118823
_cell_length_a 5.09954
_cell_length_b 7.10926
_cell_length_c 8.34561
_cell_angle_alpha 107.69623
_cell_angle_beta 101.30096
_cell_angle_gamma 95.15175
_cell_volume 279.01979
_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 1.00000 1.00000 0.99999 1.00000
V1 V 0.01652 0.13487 0.37581 1.00000
V2 V 0.62336 0.05609 0.43757 1.00000
V3 V 0.27726 0.45288 0.05998 1.00000
V4 V 0.78822 0.45221 0.55541 1.00000
V5 V 0.72274 0.54712 0.94002 1.00000
V6 V 0.37664 0.94391 0.56243 1.00000
V7 V 0.55271 0.88427 0.10224 1.00000
V8 V 0.16848 0.65353 0.83441 1.00000
V9 V 0.98348 0.86513 0.62419 1.00000
V10 V 0.44729 0.11573 0.89776 1.00000
V11 V 0.83152 0.34646 0.16559 1.00000
V12 V 0.21178 0.54779 0.44459 1.00000
Mo1 Mo 0.88567 0.22519 0.77917 1.00000
Mo2 Mo 0.66429 0.66711 0.32793 1.00000
Mo3 Mo 0.59546 0.75514 0.73907 1.00000
Mo4 Mo 0.33571 0.33289 0.67207 1.00000
Mo5 Mo 0.11433 0.77481 0.22083 1.00000
Mo6 Mo 0.40454 0.24486 0.26093 1.00000
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