Hf2TiCo3
Alexandria ALEXAlex-ID: agm005772343 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_936_spg15
Hf2TiCo3
2023-08-25 07:20:56.900952
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772343).
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 agm005772343
data_agm005772343
_cell_length_a 4.35695
_cell_length_b 7.59806
_cell_length_c 7.59806
_cell_angle_alpha 119.97416
_cell_angle_beta 106.71107
_cell_angle_gamma 106.71108
_cell_volume 178.28551
_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 0.25000 0.08385 0.91615 1.00000
Hf2 Hf 0.25000 0.74628 0.25372 1.00000
Hf3 Hf 0.75000 0.91615 0.08385 1.00000
Hf4 Hf 0.75000 0.25372 0.74628 1.00000
Ti1 Ti 0.25000 0.42006 0.57994 1.00000
Ti2 Ti 0.75000 0.57994 0.42006 1.00000
Co1 Co 0.48628 0.81437 0.65819 1.00000
Co2 Co 0.98628 0.65819 0.81437 1.00000
Co3 Co 0.50000 0.50000 0.00000 1.00000
Co4 Co 0.51372 0.18563 0.34181 1.00000
Co5 Co 0.00000 0.00000 0.50000 1.00000
Co6 Co 0.01372 0.34181 0.18563 1.00000
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