Hf3Ti2Co3
Alexandria ALEXAlex-ID: agm010048149 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
HfTiCo HfCo
2024-04-06 15:04:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010048149).
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 agm010048149
data_agm010048149
_cell_length_a 5.77572
_cell_length_b 5.77572
_cell_length_c 14.06652
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 146.15034
_cell_volume 261.37676
_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
Hf1 Hf 0.04547 0.95453 0.86905 1.00000
Hf2 Hf 0.95453 0.04547 0.36905 1.00000
Hf3 Hf 0.04547 0.95453 0.63095 1.00000
Hf4 Hf 0.95453 0.04547 0.13095 1.00000
Hf5 Hf 0.34059 0.65941 0.75000 1.00000
Hf6 Hf 0.65941 0.34059 0.25000 1.00000
Ti1 Ti 0.22962 0.77038 0.41757 1.00000
Ti2 Ti 0.77038 0.22962 0.91757 1.00000
Ti3 Ti 0.22962 0.77038 0.08243 1.00000
Ti4 Ti 0.77038 0.22962 0.58243 1.00000
Co1 Co 0.40249 0.59751 0.96504 1.00000
Co2 Co 0.59751 0.40249 0.46504 1.00000
Co3 Co 0.40249 0.59751 0.53496 1.00000
Co4 Co 0.59751 0.40249 0.03496 1.00000
Co5 Co 0.64983 0.35017 0.75000 1.00000
Co6 Co 0.35017 0.64983 0.25000 1.00000
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