CoTcRu
Alexandria ALEXAlex-ID: agm005663596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_230_spg8
TcRu3 Co CoTc
2023-06-17 06:34:39.834121
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663596).
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 agm005663596
data_agm005663596
_cell_length_a 3.72659
_cell_length_b 4.56796
_cell_length_c 5.93449
_cell_angle_alpha 104.42626
_cell_angle_beta 71.70093
_cell_angle_gamma 65.92675
_cell_volume 78.84613
_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
Co1 Co 0.39153 0.74635 0.26799 1.00000
Co2 Co 0.88289 0.25606 0.77557 1.00000
Tc1 Tc 0.21452 0.25877 0.10959 1.00000
Tc2 Tc 0.05990 0.74363 0.93397 1.00000
Ru1 Ru 0.71886 0.75587 0.60380 1.00000
Ru2 Ru 0.55556 0.24654 0.43976 1.00000
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