CoTc2W
Alexandria ALEXAlex-ID: agm002819084 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_234_spg122
CoTc3 W Co3W
2016-12-17 13:43:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002819084).
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 agm002819084
data_agm002819084
_cell_length_a 3.72256
_cell_length_b 3.72256
_cell_length_c 9.17916
_cell_angle_alpha 78.30087
_cell_angle_beta 78.30087
_cell_angle_gamma 90.00000
_cell_volume 121.85778
_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 0.50000 0.50000 0.00000 1.00000
Co2 Co 0.25000 0.75000 0.50000 1.00000
Tc1 Tc 0.58969 0.12500 0.25000 1.00000
Tc2 Tc 0.16031 0.62500 0.25000 1.00000
Tc3 Tc 0.37500 0.41031 0.75000 1.00000
Tc4 Tc 0.87500 0.83969 0.75000 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
W2 W 0.75000 0.25000 0.50000 1.00000
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