Ta5Nb2W5
Alexandria ALEXAlex-ID: agm005653880 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_47_spg12
TaNb10 Ta3W4 Ta3W2
2023-06-19 03:39:40.416068
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653880).
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 agm005653880
data_agm005653880
_cell_length_a 4.57804
_cell_length_b 5.39267
_cell_length_c 9.65101
_cell_angle_alpha 75.18222
_cell_angle_beta 76.27989
_cell_angle_gamma 64.88295
_cell_volume 206.29480
_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 0.83488 0.82795 0.50228 1.00000
Ta2 Ta 0.25141 0.74693 0.75025 1.00000
Ta3 Ta 0.74859 0.25307 0.24975 1.00000
Ta4 Ta 0.16512 0.17205 0.49772 1.00000
Ta5 Ta 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.91841 0.41043 0.75276 1.00000
Nb2 Nb 0.08159 0.58957 0.24724 1.00000
W1 W 0.50000 0.50000 0.50000 1.00000
W2 W 0.33213 0.33319 0.00255 1.00000
W3 W 0.41868 0.91487 0.24777 1.00000
W4 W 0.58132 0.08513 0.75223 1.00000
W5 W 0.66787 0.66681 0.99745 1.00000
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