Th2CoSi3
Alexandria ALEXAlex-ID: agm020558359 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2022_spg44
Th2CoSi3
2025-04-15 09:33:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020558359).
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 agm020558359
data_agm020558359
_cell_length_a 5.81656
_cell_length_b 5.81656
_cell_length_c 5.81656
_cell_angle_alpha 138.91341
_cell_angle_beta 105.94957
_cell_angle_gamma 88.36637
_cell_volume 119.27976
_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
Th1 Th 0.24771 0.74971 0.49800 1.00000
Th2 Th 0.74829 0.25029 0.49800 1.00000
Co1 Co 0.67260 0.50000 0.17260 1.00000
Si1 Si 0.35037 0.50000 0.85037 1.00000
Si2 Si 0.81771 0.00000 0.81771 1.00000
Si3 Si 0.16382 0.00000 0.16382 1.00000
