CoTcH
Alexandria ALEXAlex-ID: agm005678404 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8468_spg166
Co2H Tc4H3 Co
2023-06-19 09:31:46.229402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678404).
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 agm005678404
data_agm005678404
_cell_length_a 2.72466
_cell_length_b 2.72310
_cell_length_c 8.79126
_cell_angle_alpha 81.01090
_cell_angle_beta 89.96234
_cell_angle_gamma 60.03286
_cell_volume 55.58421
_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 0.72714 0.41802 0.32724 1.00000
Co2 Co 0.98548 0.89947 0.10601 1.00000
Tc1 Tc 0.14790 0.57409 0.59295 1.00000
Tc2 Tc 0.56466 0.74341 0.84029 1.00000
H1 H 0.42975 0.01150 0.43835 1.00000
H2 H 0.28288 0.30596 0.99486 1.00000
Get direct link