Th4Si2Tc
Alexandria ALEXAlex-ID: agm003458080 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_926_spg15
Th3Si2 ThSiTc Th7Tc3
2022-02-19 20:30:46.244224
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458080).
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 agm003458080
data_agm003458080
_cell_length_a 7.98085
_cell_length_b 7.98081
_cell_length_c 7.98097
_cell_angle_alpha 110.83610
_cell_angle_beta 110.74296
_cell_angle_gamma 106.86607
_cell_volume 390.71238
_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 0.93244 0.23048 0.29784 1.00000
Th2 Th 0.31734 0.51952 0.20195 1.00000
Th3 Th 0.93264 0.63460 0.70216 1.00000
Th4 Th 0.76960 0.06739 0.70200 1.00000
Th5 Th 0.36540 0.06760 0.29800 1.00000
Th6 Th 0.31758 0.11539 0.79805 1.00000
Th7 Th 0.48035 0.68238 0.79774 1.00000
Th8 Th 0.88464 0.68261 0.20226 1.00000
Si1 Si 0.62514 0.37500 0.75014 1.00000
Si2 Si 0.62485 0.87499 0.24986 1.00000
Si3 Si 0.62502 0.37515 0.25016 1.00000
Si4 Si 0.12498 0.37485 0.74983 1.00000
Tc1 Tc 0.24969 0.74968 0.50000 1.00000
Tc2 Tc 0.00035 0.00035 0.00001 1.00000
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