Ta3Nb2W3
Alexandria ALEXAlex-ID: agm003332076 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_118_spg71
TaNb10 Ta3W4 Ta3W2
2022-01-22 21:29:39.999625
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003332076).
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 agm003332076
data_agm003332076
_cell_length_a 4.56335
_cell_length_b 4.64031
_cell_length_c 7.30542
_cell_angle_alpha 108.56430
_cell_angle_beta 108.19948
_cell_angle_gamma 90.00000
_cell_volume 138.45772
_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 0.12237 0.62241 0.24475 1.00000
Ta2 Ta 0.87763 0.37759 0.75525 1.00000
Ta3 Ta 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.24886 0.24887 0.49772 1.00000
Nb2 Nb 0.75114 0.75113 0.50228 1.00000
W1 W 0.62432 0.12424 0.24864 1.00000
W2 W 0.50000 0.50000 0.00000 1.00000
W3 W 0.37568 0.87576 0.75136 1.00000
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