CoTc3Mo5
Alexandria ALEXAlex-ID: agm072201691 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1260_spg157
CoTc3 Mo
2024-09-24 02:59:25.285978
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072201691).
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 agm072201691
data_agm072201691
_cell_length_a 8.05983
_cell_length_b 6.95140
_cell_length_c 5.14056
_cell_angle_alpha 82.12952
_cell_angle_beta 58.68807
_cell_angle_gamma 39.18241
_cell_volume 135.28796
_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 0.13010 0.13010 0.86990 1.00000
Tc1 Tc 0.14021 0.46474 0.53526 1.00000
Tc2 Tc 0.46474 0.14021 0.85979 1.00000
Tc3 Tc 0.79821 0.79821 0.20179 1.00000
Mo1 Mo 0.47207 0.47207 0.52793 1.00000
Mo2 Mo 0.46790 0.80868 0.19132 1.00000
Mo3 Mo 0.13426 0.79905 0.20095 1.00000
Mo4 Mo 0.80868 0.46790 0.53210 1.00000
Mo5 Mo 0.79905 0.13426 0.86574 1.00000
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