Ta(VW)3
Alexandria ALEXAlex-ID: agm005992772 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_288_spg12
Ta2V3W TaV4W V2W5
2023-08-06 21:49:01.961518
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992772).
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 agm005992772
data_agm005992772
_cell_length_a 5.33948
_cell_length_b 6.48465
_cell_length_c 6.48121
_cell_angle_alpha 92.69589
_cell_angle_beta 89.99406
_cell_angle_gamma 90.00587
_cell_volume 224.16126
_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 0.75005 0.75473 0.75426 1.00000
Ta2 Ta 0.24995 0.24527 0.24574 1.00000
V1 V 0.25002 0.92710 0.92735 1.00000
V2 V 0.75000 0.04721 0.44789 1.00000
V3 V 0.74999 0.44847 0.04661 1.00000
V4 V 0.25000 0.95279 0.55211 1.00000
V5 V 0.25001 0.55153 0.95339 1.00000
V6 V 0.74998 0.07290 0.07265 1.00000
W1 W 0.25001 0.56816 0.56835 1.00000
W2 W 0.50002 0.24449 0.75537 1.00000
W3 W 0.49998 0.75551 0.24463 1.00000
W4 W 0.00008 0.24448 0.75535 1.00000
W5 W 0.99992 0.75552 0.24465 1.00000
W6 W 0.74999 0.43184 0.43165 1.00000
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