Ta2V4Mo
Alexandria ALEXAlex-ID: agm005999813 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3507_spg166
Ta2V3Mo V5Mo TaV2
2023-10-16 11:59:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999813).
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 agm005999813
data_agm005999813
_cell_length_a 4.42466
_cell_length_b 4.42466
_cell_length_c 12.83496
_cell_angle_alpha 89.99485
_cell_angle_beta 99.91589
_cell_angle_gamma 120.04893
_cell_volume 213.15996
_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 0.51728 0.73193 0.35608 1.00000
Ta2 Ta 0.37585 0.16120 0.64392 1.00000
Ta3 Ta 0.22953 0.58781 0.92491 1.00000
Ta4 Ta 0.66291 0.30463 0.07509 1.00000
V1 V 0.08766 0.51715 0.71179 1.00000
V2 V 0.51133 0.22887 0.84780 1.00000
V3 V 0.80536 0.37587 0.28821 1.00000
V4 V 0.23270 0.08956 0.42892 1.00000
V5 V 0.66064 0.80378 0.57108 1.00000
V6 V 0.38107 0.66353 0.15220 1.00000
V7 V 0.09191 0.01904 0.21821 1.00000
V8 V 0.80083 0.87370 0.78179 1.00000
Mo1 Mo 0.94663 0.44663 0.50000 1.00000
Mo2 Mo 0.94631 0.94631 1.00000 1.00000
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