Ta5NbV3
Alexandria ALEXAlex-ID: agm072201222 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1260_spg157
Ta2Nb Ta TaV2
2024-09-24 23:08:20.600410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072201222).
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 agm072201222
data_agm072201222
_cell_length_a 8.32209
_cell_length_b 7.43487
_cell_length_c 5.08753
_cell_angle_alpha 80.94728
_cell_angle_beta 61.91640
_cell_angle_gamma 37.13632
_cell_volume 152.98553
_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
Ta1 Ta 0.44819 0.44819 0.55181 1.00000
Ta2 Ta 0.38765 0.07016 0.92984 1.00000
Ta3 Ta 0.72340 0.04240 0.95760 1.00000
Ta4 Ta 0.07016 0.38765 0.61235 1.00000
Ta5 Ta 0.04240 0.72340 0.27660 1.00000
Nb1 Nb 0.66268 0.66268 0.33732 1.00000
V1 V 0.05540 0.05540 0.44460 1.00000
V2 V 0.55540 0.55540 0.94460 1.00000
V3 V 0.05509 0.05509 0.94491 1.00000
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