HfTa3Co5
Alexandria ALEXAlex-ID: agm072829706 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1071_spg8
HfCo2 TaCo3 Ta7Co6
2024-09-24 03:15:33.684840
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072829706).
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
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# CIF generated by HEAS from Alexandria entry agm072829706
data_agm072829706
_cell_length_a 6.55784
_cell_length_b 6.55784
_cell_length_c 3.18549
_cell_angle_alpha 75.98329
_cell_angle_beta 75.98329
_cell_angle_gamma 90.36665
_cell_volume 128.64826
_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 0.18042 0.18042 0.03996 1.00000
Ta1 Ta 0.54173 0.54173 0.67946 1.00000
Ta2 Ta 0.58543 0.92469 0.96614 1.00000
Ta3 Ta 0.92469 0.58543 0.96614 1.00000
Co1 Co 0.88787 0.88787 0.33406 1.00000
Co2 Co 0.85684 0.26877 0.65807 1.00000
Co3 Co 0.23211 0.52303 0.34322 1.00000
Co4 Co 0.26877 0.85684 0.65807 1.00000
Co5 Co 0.52303 0.23211 0.34322 1.00000
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