Nb2TcW6
Alexandria ALEXAlex-ID: agm005661804 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_891_spg12
NbW5 NbW12 NbTc
2023-07-08 20:25:41.530438
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661804).
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 agm005661804
data_agm005661804
_cell_length_a 4.58692
_cell_length_b 5.42371
_cell_length_c 9.45578
_cell_angle_alpha 134.43422
_cell_angle_beta 103.99958
_cell_angle_gamma 90.07277
_cell_volume 157.96657
_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
Nb1 Nb 0.89718 0.31308 0.79392 1.00000
Nb2 Nb 0.10282 0.68692 0.20608 1.00000
Tc1 Tc 1.00000 1.00000 1.00000 1.00000
W1 W 0.70750 0.07640 0.41529 1.00000
W2 W 0.29250 0.92360 0.58471 1.00000
W3 W 0.30654 0.47091 0.61155 1.00000
W4 W 0.49597 0.24474 0.99172 1.00000
W5 W 0.50403 0.75526 0.00828 1.00000
W6 W 0.69346 0.52909 0.38845 1.00000
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