Ti4Nb4In3
Alexandria ALEXAlex-ID: agm005693566 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
Ti3NbIn2 TiNb2In Ti2NbIn
2023-07-02 03:56:52.017384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693566).
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 agm005693566
data_agm005693566
_cell_length_a 2.90522
_cell_length_b 4.70426
_cell_length_c 15.32670
_cell_angle_alpha 81.17613
_cell_angle_beta 84.93155
_cell_angle_gamma 90.00905
_cell_volume 206.15969
_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 0.48743 0.54514 0.90997 1.00000
Ti2 Ti 0.51271 0.45490 0.09001 1.00000
Ti3 Ti 0.08122 0.81430 0.37131 1.00000
Ti4 Ti 0.91874 0.18572 0.62870 1.00000
Nb1 Nb 0.69343 0.09369 0.81308 1.00000
Nb2 Nb 0.38052 0.26923 0.46149 1.00000
Nb3 Nb 0.61944 0.73078 0.53855 1.00000
Nb4 Nb 0.30660 0.90635 0.18690 1.00000
In1 In 0.21843 0.63601 0.72835 1.00000
In2 In 0.78157 0.36402 0.27165 1.00000
In3 In 0.00006 0.00002 0.99999 1.00000
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