Ta3Co
Alexandria ALEXAlex-ID: agm010201864 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_242_spg82
Ta2Co Ta
2024-05-09 13:30:57.192728
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010201864).
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 agm010201864
data_agm010201864
_cell_length_a 7.61683
_cell_length_b 7.61683
_cell_length_c 7.61683
_cell_angle_alpha 96.47005
_cell_angle_beta 96.47005
_cell_angle_gamma 140.77172
_cell_volume 263.24615
_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
Ta1 Ta 0.32574 0.32574 0.18827 1.00000
Ta2 Ta 0.13747 0.13747 0.81173 1.00000
Ta3 Ta 0.86253 0.67426 0.00000 1.00000
Ta4 Ta 0.67426 0.86253 0.00000 1.00000
Ta5 Ta 0.54716 0.54716 0.59883 1.00000
Ta6 Ta 0.94833 0.94833 0.40117 1.00000
Ta7 Ta 0.05167 0.45284 0.00000 1.00000
Ta8 Ta 0.45284 0.05167 0.00000 1.00000
Ta9 Ta 0.35487 0.00000 0.35487 1.00000
Ta10 Ta 0.64513 0.00000 0.64513 1.00000
Ta11 Ta 0.00000 0.64513 0.64513 1.00000
Ta12 Ta 0.00000 0.35487 0.35487 1.00000
Co1 Co 0.79885 0.50000 0.29885 1.00000
Co2 Co 0.20115 0.50000 0.70115 1.00000
Co3 Co 0.50000 0.20115 0.70115 1.00000
Co4 Co 0.50000 0.79885 0.29885 1.00000
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