SiTeH4
Alexandria ALEXAlex-ID: agm005751694 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2406_spg8
SiTeH4
2023-07-10 01:37:02.491226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751694).
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 agm005751694
data_agm005751694
_cell_length_a 5.52626
_cell_length_b 5.47571
_cell_length_c 9.14737
_cell_angle_alpha 45.57138
_cell_angle_beta 45.40950
_cell_angle_gamma 79.13998
_cell_volume 113.05022
_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 0.92708 0.43362 0.52970 1.00000
Te1 Te 0.60602 0.10725 0.04796 1.00000
H1 H 0.00565 0.16586 0.52047 1.00000
H2 H 0.66429 0.52282 0.51863 1.00000
H3 H 0.08816 0.69623 0.94586 1.00000
H4 H 0.19762 0.59051 0.94518 1.00000
Get direct link