ZrTa2Co3
Alexandria ALEXAlex-ID: agm019739276 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_682_spg14
ZrCo2 Ta7Co6 ZrCo
2025-04-15 05:11:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019739276).
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 agm019739276
data_agm019739276
_cell_length_a 5.05367
_cell_length_b 11.78076
_cell_length_c 6.36875
_cell_angle_alpha 90.00000
_cell_angle_beta 108.24140
_cell_angle_gamma 90.00000
_cell_volume 360.11561
_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
Zr1 Zr 0.78306 0.92065 0.57615 1.00000
Zr2 Zr 0.78306 0.57935 0.07615 1.00000
Zr3 Zr 0.21694 0.42065 0.92385 1.00000
Zr4 Zr 0.21694 0.07935 0.42385 1.00000
Ta1 Ta 0.78025 0.23973 0.57001 1.00000
Ta2 Ta 0.78025 0.26027 0.07001 1.00000
Ta3 Ta 0.78695 0.58985 0.56942 1.00000
Ta4 Ta 0.78695 0.91015 0.06942 1.00000
Ta5 Ta 0.21305 0.08985 0.93058 1.00000
Ta6 Ta 0.21305 0.41015 0.43058 1.00000
Ta7 Ta 0.21975 0.73973 0.92999 1.00000
Ta8 Ta 0.21975 0.76027 0.42999 1.00000
Co1 Co 0.68407 0.41293 0.32660 1.00000
Co2 Co 0.68407 0.08707 0.82660 1.00000
Co3 Co 0.66964 0.08588 0.26186 1.00000
Co4 Co 0.66964 0.41412 0.76186 1.00000
Co5 Co 0.67929 0.75241 0.29603 1.00000
Co6 Co 0.67929 0.74759 0.79603 1.00000
Co7 Co 0.32071 0.25241 0.20397 1.00000
Co8 Co 0.32071 0.24759 0.70397 1.00000
Co9 Co 0.33036 0.58588 0.23814 1.00000
Co10 Co 0.33036 0.91412 0.73814 1.00000
Co11 Co 0.31593 0.91293 0.17340 1.00000
Co12 Co 0.31593 0.58707 0.67340 1.00000
