Ta2V4W5
Alexandria ALEXAlex-ID: agm005676497 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_613_spg12
Ta2V3W V2W5 TaW2
2023-06-22 17:54:21.032459
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676497).
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 agm005676497
data_agm005676497
_cell_length_a 2.77507
_cell_length_b 6.75617
_cell_length_c 9.43327
_cell_angle_alpha 94.25889
_cell_angle_beta 78.66077
_cell_angle_gamma 97.94123
_cell_volume 171.54563
_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 0.86359 0.19307 0.54566 1.00000
Ta2 Ta 0.13641 0.80693 0.45434 1.00000
V1 V 0.42789 0.45250 0.35492 1.00000
V2 V 0.22630 0.36529 0.08918 1.00000
V3 V 0.57211 0.54750 0.64508 1.00000
V4 V 0.77370 0.63471 0.91082 1.00000
W1 W 0.68852 0.09603 0.26755 1.00000
W2 W 0.31148 0.90397 0.73245 1.00000
W3 W 0.95212 0.71779 0.17600 1.00000
W4 W 0.50000 0.00000 0.00000 1.00000
W5 W 0.04788 0.28221 0.82400 1.00000
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