Ta2Co4BRu2
Alexandria ALEXAlex-ID: agm024691143 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_166_spg139
Ta4Co12B Ta3B2Ru5 Co
2024-12-10 13:05:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024691143).
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 agm024691143
data_agm024691143
_cell_length_a 5.41693
_cell_length_b 5.41693
_cell_length_c 5.41693
_cell_angle_alpha 120.82178
_cell_angle_beta 120.82178
_cell_angle_gamma 88.58243
_cell_volume 110.96170
_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 0.75000 0.25000 0.50000 1.00000
Ta2 Ta 0.25000 0.75000 0.50000 1.00000
Co1 Co 0.74233 0.25767 0.00000 1.00000
Co2 Co 0.74233 0.74233 0.48467 1.00000
Co3 Co 0.25767 0.74233 0.00000 1.00000
Co4 Co 0.25767 0.25767 0.51533 1.00000
B1 B 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.73842 0.73842 0.00000 1.00000
Ru2 Ru 0.26158 0.26158 0.00000 1.00000
Get direct link