Ta6Nb
Alexandria ALEXAlex-ID: agm005547005 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_8_spg148
Ta2Nb Ta
2023-05-29 08:54:27.055867
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005547005).
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 agm005547005
data_agm005547005
_cell_length_a 2.84931
_cell_length_b 7.26087
_cell_length_c 7.26087
_cell_angle_alpha 118.31602
_cell_angle_beta 97.51621
_cell_angle_gamma 97.51622
_cell_volume 127.86519
_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 0.63603 0.57095 0.85706 1.00000
Ta2 Ta 0.77897 0.14294 0.71389 1.00000
Ta3 Ta 0.93492 0.71389 0.57095 1.00000
Ta4 Ta 0.06508 0.28611 0.42905 1.00000
Ta5 Ta 0.22103 0.85706 0.28611 1.00000
Ta6 Ta 0.36397 0.42905 0.14294 1.00000
Nb1 Nb 0.50000 0.00000 0.00000 1.00000
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