Ti2NbIn2
Alexandria ALEXAlex-ID: agm003401034 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_386_spg12
Ti3NbIn2 TiNb2In Ti2In5
2022-02-19 19:32:55.193260
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003401034).
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 agm003401034
data_agm003401034
_cell_length_a 5.60685
_cell_length_b 5.60685
_cell_length_c 7.23784
_cell_angle_alpha 48.18108
_cell_angle_beta 48.18108
_cell_angle_gamma 36.27001
_cell_volume 95.91314
_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 0.59751 0.09751 0.17187 1.00000
Ti2 Ti 0.40249 0.90249 0.82813 1.00000
Nb1 Nb 0.00000 0.50000 0.00000 1.00000
In1 In 0.19161 0.69161 0.39668 1.00000
In2 In 0.80839 0.30839 0.60332 1.00000
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