Ta3CoRu2
Alexandria ALEXAlex-ID: agm005708476 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
Ta7Ru3 Ta5(CoRu2)2 Ta2Co
2023-08-29 14:44:55.300434
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708476).
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 agm005708476
data_agm005708476
_cell_length_a 4.37958
_cell_length_b 7.11299
_cell_length_c 6.26240
_cell_angle_alpha 90.00327
_cell_angle_beta 90.01062
_cell_angle_gamma 72.06987
_cell_volume 185.61103
_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 0.82533 0.34958 0.76665 1.00000
Ta2 Ta 0.49997 0.00000 0.25303 1.00000
Ta3 Ta 0.17467 0.65042 0.23335 1.00000
Ta4 Ta 0.82509 0.34958 0.23335 1.00000
Ta5 Ta 0.17491 0.65042 0.76665 1.00000
Ta6 Ta 0.50003 1.00000 0.74697 1.00000
Co1 Co 0.35905 0.28190 1.00000 1.00000
Co2 Co 0.64095 0.71810 0.00000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.00000 0.00000 0.50000 1.00000
Ru3 Ru 0.33274 0.33452 0.50000 1.00000
Ru4 Ru 0.66726 0.66548 0.50000 1.00000
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