Ti3Co7Si2
Alexandria ALEXAlex-ID: agm024651904 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_69_spg12
Ti2Co5Si TiCo2Si
2025-05-17 12:46:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024651904).
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 agm024651904
data_agm024651904
_cell_length_a 7.80449
_cell_length_b 7.80449
_cell_length_c 7.80449
_cell_angle_alpha 36.02383
_cell_angle_beta 36.02383
_cell_angle_gamma 36.02383
_cell_volume 147.07233
_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
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Ti2 Ti 0.13893 0.13893 0.13893 1.00000
Ti3 Ti 0.86107 0.86107 0.86107 1.00000
Co1 Co 0.50000 0.50000 0.50000 1.00000
Co2 Co 0.07733 0.58640 0.58640 1.00000
Co3 Co 0.58640 0.58640 0.07733 1.00000
Co4 Co 0.58640 0.07733 0.58640 1.00000
Co5 Co 0.92267 0.41360 0.41360 1.00000
Co6 Co 0.41360 0.92267 0.41360 1.00000
Co7 Co 0.41360 0.41360 0.92267 1.00000
Si1 Si 0.33504 0.33504 0.33504 1.00000
Si2 Si 0.66496 0.66496 0.66496 1.00000
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