Ti6Co2Cu
Alexandria ALEXAlex-ID: agm005642407 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1783_spg71
Ti2Co Ti2Cu
2023-07-09 19:41:27.103698
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642407).
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 agm005642407
data_agm005642407
_cell_length_a 7.13993
_cell_length_b 7.13993
_cell_length_c 7.13993
_cell_angle_alpha 101.55089
_cell_angle_beta 112.91219
_cell_angle_gamma 114.23259
_cell_volume 276.21502
_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 0.51228 0.70212 0.81016 1.00000
Ti2 Ti 0.48772 0.29788 0.18984 1.00000
Ti3 Ti 0.10804 0.29788 0.81016 1.00000
Ti4 Ti 0.89196 0.70212 0.18984 1.00000
Ti5 Ti 0.80120 0.76737 0.56857 1.00000
Ti6 Ti 0.19880 0.23263 0.43143 1.00000
Ti7 Ti 0.19880 0.76737 0.96616 1.00000
Ti8 Ti 0.80120 0.23263 0.03384 1.00000
Ti9 Ti 0.70570 0.37938 0.67369 1.00000
Ti10 Ti 0.29430 0.62062 0.32631 1.00000
Ti11 Ti 0.29430 0.96799 0.67369 1.00000
Ti12 Ti 0.70570 0.03201 0.32631 1.00000
Co1 Co 0.50000 0.36416 0.86416 1.00000
Co2 Co 0.50000 0.63584 0.13584 1.00000
Co3 Co 0.66267 0.00000 0.66267 1.00000
Co4 Co 0.33733 1.00000 0.33733 1.00000
Cu1 Cu 0.00000 0.50000 0.50000 1.00000
Cu2 Cu 0.00000 0.00000 0.00000 1.00000
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