SiTc4Ge
Alexandria ALEXAlex-ID: agm005893643 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_184_spg123
Tc2Ge SiTc2
2023-07-31 08:17:26.591319
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005893643).
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 agm005893643
data_agm005893643
_cell_length_a 2.96153
_cell_length_b 2.96153
_cell_length_c 9.51203
_cell_angle_alpha 89.99829
_cell_angle_beta 89.99828
_cell_angle_gamma 89.99999
_cell_volume 83.42659
_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
Si1 Si 0.50000 0.50000 0.50000 1.00000
Tc1 Tc 0.49994 0.49994 0.83464 1.00000
Tc2 Tc 0.50006 0.50006 0.16536 1.00000
Tc3 Tc 0.99997 0.99997 0.65550 1.00000
Tc4 Tc 0.00003 0.00003 0.34450 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
