Th2Co2Si5Ir
Alexandria ALEXAlex-ID: agm045703247 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_56_spg15
Th2Co2Si5Ir
2024-10-02 05:43:42.608060
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045703247).
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 agm045703247
data_agm045703247
_cell_length_a 8.08055
_cell_length_b 8.08055
_cell_length_c 8.08055
_cell_angle_alpha 138.00764
_cell_angle_beta 105.12115
_cell_angle_gamma 89.76538
_cell_volume 325.72899
_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 0.39615 0.13001 0.26614 1.00000
Th2 Th 0.86388 0.63001 0.23386 1.00000
Th3 Th 0.60385 0.86999 0.73386 1.00000
Th4 Th 0.13612 0.36999 0.76614 1.00000
Co1 Co 0.47653 0.36383 0.11270 1.00000
Co2 Co 0.25113 0.86383 0.38730 1.00000
Co3 Co 0.52347 0.63617 0.88730 1.00000
Co4 Co 0.74887 0.13617 0.61270 1.00000
Si1 Si 0.73162 0.38772 0.34391 1.00000
Si2 Si 0.04381 0.88772 0.15609 1.00000
Si3 Si 0.26838 0.61228 0.65609 1.00000
Si4 Si 0.95619 0.11228 0.84391 1.00000
Si5 Si 0.50000 0.25000 0.75000 1.00000
Si6 Si 0.50000 0.75000 0.25000 1.00000
Si7 Si 0.23811 0.98811 0.75000 1.00000
Si8 Si 0.76189 0.01189 0.25000 1.00000
Si9 Si 0.76189 0.51189 0.75000 1.00000
Si10 Si 0.23811 0.48811 0.25000 1.00000
Ir1 Ir 0.00000 0.75000 0.75000 1.00000
Ir2 Ir 0.00000 0.25000 0.25000 1.00000
