CoTc2Te
Alexandria ALEXAlex-ID: agm002819082 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7_spg122
CoTc CoTc3 TcTe2
2016-12-17 13:09:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002819082).
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
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# CIF generated by HEAS from Alexandria entry agm002819082
data_agm002819082
_cell_length_a 5.53101
_cell_length_b 5.53101
_cell_length_c 6.83233
_cell_angle_alpha 66.12344
_cell_angle_beta 66.12344
_cell_angle_gamma 90.00000
_cell_volume 171.38275
_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
Te1 Te 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.75000 0.25000 0.50000 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
Co2 Co 0.25000 0.75000 0.50000 1.00000
Tc1 Tc 0.56528 0.12500 0.25000 1.00000
Tc2 Tc 0.18472 0.62500 0.25000 1.00000
Tc3 Tc 0.37500 0.43472 0.75000 1.00000
Tc4 Tc 0.87500 0.81528 0.75000 1.00000
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