Ta3W5
Alexandria ALEXAlex-ID: agm005519962 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_99_spg140
TaW2 Ta3W4
2023-07-30 14:36:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005519962).
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 agm005519962
data_agm005519962
_cell_length_a 5.14887
_cell_length_b 7.78773
_cell_length_c 7.79011
_cell_angle_alpha 96.27561
_cell_angle_beta 109.27983
_cell_angle_gamma 70.71389
_cell_volume 278.30273
_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
W1 W 0.75040 0.50007 0.50047 1.00000
W2 W 0.25043 0.49993 0.50034 1.00000
W3 W 0.24432 0.81550 0.30393 1.00000
W4 W 0.75649 0.18459 0.69687 1.00000
W5 W 0.25645 0.30355 0.81583 1.00000
W6 W 0.74435 0.69651 0.18505 1.00000
W7 W 0.44139 0.81547 0.69683 1.00000
W8 W 0.55950 0.18444 0.30397 1.00000
W9 W 0.94143 0.30353 0.18499 1.00000
W10 W 0.05942 0.69640 0.81589 1.00000
Ta1 Ta 0.25037 0.00019 0.00053 1.00000
Ta2 Ta 0.75037 0.99981 0.00014 1.00000
Ta3 Ta 0.68579 0.49996 0.87233 1.00000
Ta4 Ta 0.31502 0.50004 0.12859 1.00000
Ta5 Ta 0.81509 0.87185 0.50041 1.00000
Ta6 Ta 0.18585 0.12815 0.50050 1.00000
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