Ti(Nb3In)2
Alexandria ALEXAlex-ID: agm005692923 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_734_spg12
TiNb2In Ti2In5 Nb7In
2023-07-09 19:54:31.624972
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692923).
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 agm005692923
data_agm005692923
_cell_length_a 4.80352
_cell_length_b 5.57675
_cell_length_c 7.43513
_cell_angle_alpha 113.99032
_cell_angle_beta 108.86583
_cell_angle_gamma 89.99376
_cell_volume 170.19203
_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
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.65175 0.00879 0.30359 1.00000
Nb2 Nb 0.76930 0.67257 0.53889 1.00000
Nb3 Nb 0.55499 0.32425 0.10985 1.00000
Nb4 Nb 0.34825 0.99121 0.69641 1.00000
Nb5 Nb 0.23070 0.32743 0.46111 1.00000
Nb6 Nb 0.44501 0.67575 0.89015 1.00000
In1 In 0.11892 0.67475 0.23756 1.00000
In2 In 0.88108 0.32525 0.76244 1.00000
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