Ti6Cr2CuIr3
Alexandria ALEXAlex-ID: agm031875639 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_208_spg12
Ti4Ir TiCu TiCr2 Ti3CrIr2
2024-12-24 00:23:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm031875639).
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 agm031875639
data_agm031875639
_cell_length_a 7.51026
_cell_length_b 7.51026
_cell_length_c 7.51026
_cell_angle_alpha 146.36676
_cell_angle_beta 131.49662
_cell_angle_gamma 60.31864
_cell_volume 174.09683
_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 0.57827 0.83062 0.74766 1.00000
Ti2 Ti 0.91704 0.16938 0.74766 1.00000
Ti3 Ti 0.42173 0.16938 0.25234 1.00000
Ti4 Ti 0.25816 0.50000 0.75816 1.00000
Ti5 Ti 0.74184 0.50000 0.24184 1.00000
Ti6 Ti 0.08296 0.83062 0.25234 1.00000
Cr1 Cr 0.33369 0.33369 0.00000 1.00000
Cr2 Cr 0.66631 0.66631 0.00000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.50000 0.00000 0.50000 1.00000
Ir2 Ir 0.83541 0.33541 0.50000 1.00000
Ir3 Ir 0.16459 0.66459 0.50000 1.00000
Get direct link