Ta2Nb6In
Alexandria ALEXAlex-ID: agm005769745 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1798_spg72
Ta2Nb Nb7In In
2023-07-08 21:01:31.011482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005769745).
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 agm005769745
data_agm005769745
_cell_length_a 7.47413
_cell_length_b 7.88469
_cell_length_c 7.88469
_cell_angle_alpha 88.83247
_cell_angle_beta 61.70613
_cell_angle_gamma 61.70612
_cell_volume 347.52919
_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 0.02558 0.69684 0.80325 1.00000
Ta2 Ta 0.47442 0.19675 0.30316 1.00000
Ta3 Ta 0.97442 0.30316 0.19675 1.00000
Ta4 Ta 0.52558 0.80325 0.69684 1.00000
Nb1 Nb 0.51593 0.45682 0.66445 1.00000
Nb2 Nb 0.98407 0.33555 0.54318 1.00000
Nb3 Nb 0.48407 0.54318 0.33555 1.00000
Nb4 Nb 0.01593 0.66445 0.45682 1.00000
Nb5 Nb 0.81654 0.06865 0.43139 1.00000
Nb6 Nb 0.68346 0.56861 0.93135 1.00000
Nb7 Nb 0.18346 0.93135 0.56861 1.00000
Nb8 Nb 0.31654 0.43139 0.06865 1.00000
Nb9 Nb 0.13712 0.83556 0.04323 1.00000
Nb10 Nb 0.36288 0.95677 0.16444 1.00000
Nb11 Nb 0.86288 0.16444 0.95677 1.00000
Nb12 Nb 0.63712 0.04323 0.83556 1.00000
In1 In 0.25000 0.25003 0.74997 1.00000
In2 In 0.75000 0.74997 0.25003 1.00000
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