Co4Tc3
Alexandria ALEXAlex-ID: agm005487307 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_16_spg71
CoTc Co
2023-03-17 23:05:37.990772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487307).
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 agm005487307
data_agm005487307
_cell_length_a 9.68607
_cell_length_b 9.68607
_cell_length_c 9.68607
_cell_angle_alpha 161.97305
_cell_angle_beta 161.97305
_cell_angle_gamma 25.60138
_cell_volume 87.00136
_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 0.86602 0.86602 0.00000 1.00000
Co2 Co 0.57382 0.57382 0.00000 1.00000
Co3 Co 0.42618 0.42618 0.00000 1.00000
Co4 Co 0.13398 0.13398 0.00000 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Tc2 Tc 0.70965 0.70965 0.00000 1.00000
Tc3 Tc 0.29035 0.29035 0.00000 1.00000
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