Th2CoSi8Ni17
Alexandria ALEXAlex-ID: agm020449136 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8D17_0_spg69
CoSi4Ni7 Th(SiNi)2 SiNi2 ThSiNi4
2024-12-06 06:38:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020449136).
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 agm020449136
data_agm020449136
_cell_length_a 7.96373
_cell_length_b 7.94509
_cell_length_c 7.85175
_cell_angle_alpha 60.54440
_cell_angle_beta 60.30782
_cell_angle_gamma 59.14778
_cell_volume 351.17218
_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 0.75000 0.75000 0.75000 1.00000
Th2 Th 0.25000 0.25000 0.25000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.94610 0.28522 0.05390 1.00000
Si2 Si 0.28522 0.94610 0.71478 1.00000
Si3 Si 0.44658 0.78578 0.21422 1.00000
Si4 Si 0.78578 0.44658 0.55342 1.00000
Si5 Si 0.05390 0.71478 0.94610 1.00000
Si6 Si 0.71478 0.05390 0.28522 1.00000
Si7 Si 0.55342 0.21422 0.78578 1.00000
Si8 Si 0.21422 0.55342 0.44658 1.00000
Ni1 Ni 0.82015 0.55318 0.17985 1.00000
Ni2 Ni 0.55318 0.82015 0.44682 1.00000
Ni3 Ni 0.31884 0.05242 0.94758 1.00000
Ni4 Ni 0.05242 0.31884 0.68116 1.00000
Ni5 Ni 0.17985 0.44682 0.82015 1.00000
Ni6 Ni 0.44682 0.17985 0.55318 1.00000
Ni7 Ni 0.68116 0.94758 0.05242 1.00000
Ni8 Ni 0.94758 0.68116 0.31884 1.00000
Ni9 Ni 0.70391 0.29609 0.93094 1.00000
Ni10 Ni 0.29609 0.70391 0.06906 1.00000
Ni11 Ni 0.20391 0.79609 0.56848 1.00000
Ni12 Ni 0.79609 0.20391 0.43152 1.00000
Ni13 Ni 0.43152 0.56848 0.79609 1.00000
Ni14 Ni 0.56848 0.43152 0.20391 1.00000
Ni15 Ni 0.06906 0.93094 0.29609 1.00000
Ni16 Ni 0.93094 0.06906 0.70391 1.00000
Ni17 Ni 0.50000 0.50000 0.50000 1.00000
