TaNbTe
Alexandria ALEXAlex-ID: agm005643416 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7873_spg12
TaNbTe
2023-06-17 21:59:41.498425
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643416).
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 agm005643416
data_agm005643416
_cell_length_a 3.14626
_cell_length_b 5.55262
_cell_length_c 9.59271
_cell_angle_alpha 94.97600
_cell_angle_beta 80.56130
_cell_angle_gamma 73.54196
_cell_volume 156.96323
_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 0.50200 0.37255 0.62346 1.00000
Ta2 Ta 0.49800 0.62745 0.37654 1.00000
Nb1 Nb 0.78158 0.07020 0.36663 1.00000
Nb2 Nb 0.21842 0.92980 0.63337 1.00000
Te1 Te 0.73398 0.69445 0.83759 1.00000
Te2 Te 0.26602 0.30555 0.16241 1.00000
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