Hf11(SiTe4)2
Alexandria ALEXAlex-ID: agm008220134 · Space group: Pnnm (#58)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B8C11_6_spg58
Hf3Te4 Hf3Te2 Hf2Si
2024-09-25 05:08:21.157848
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008220134).
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 agm008220134
data_agm008220134
_cell_length_a 3.78130
_cell_length_b 12.98441
_cell_length_c 21.37175
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1049.30856
_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
Hf1 Hf 0.00000 0.56348 0.11218 1.00000
Hf2 Hf 0.00000 0.43652 0.88782 1.00000
Hf3 Hf 0.50000 0.93652 0.61218 1.00000
Hf4 Hf 0.50000 0.06348 0.38782 1.00000
Hf5 Hf 0.00000 0.32722 0.05206 1.00000
Hf6 Hf 0.00000 0.67278 0.94794 1.00000
Hf7 Hf 0.50000 0.17278 0.55206 1.00000
Hf8 Hf 0.50000 0.82722 0.44794 1.00000
Hf9 Hf 0.00000 0.04566 0.26571 1.00000
Hf10 Hf 0.00000 0.95434 0.73429 1.00000
Hf11 Hf 0.50000 0.45434 0.76571 1.00000
Hf12 Hf 0.50000 0.54566 0.23429 1.00000
Hf13 Hf 0.00000 0.00000 0.50000 1.00000
Hf14 Hf 0.50000 0.50000 0.00000 1.00000
Hf15 Hf 0.00000 0.34608 0.21092 1.00000
Hf16 Hf 0.00000 0.65392 0.78908 1.00000
Hf17 Hf 0.50000 0.15392 0.71092 1.00000
Hf18 Hf 0.50000 0.84608 0.28908 1.00000
Hf19 Hf 0.00000 0.31672 0.64259 1.00000
Hf20 Hf 0.00000 0.68328 0.35741 1.00000
Hf21 Hf 0.50000 0.18328 0.14259 1.00000
Hf22 Hf 0.50000 0.81672 0.85741 1.00000
Si1 Si 0.00000 0.08642 0.62875 1.00000
Si2 Si 0.00000 0.91358 0.37125 1.00000
Si3 Si 0.50000 0.41358 0.12875 1.00000
Si4 Si 0.50000 0.58642 0.87125 1.00000
Te1 Te 0.00000 0.71571 0.21558 1.00000
Te2 Te 0.00000 0.28429 0.78442 1.00000
Te3 Te 0.50000 0.78429 0.71558 1.00000
Te4 Te 0.50000 0.21571 0.28442 1.00000
Te5 Te 0.00000 0.10927 0.05245 1.00000
Te6 Te 0.00000 0.89073 0.94755 1.00000
Te7 Te 0.50000 0.39073 0.55245 1.00000
Te8 Te 0.50000 0.60927 0.44755 1.00000
Te9 Te 0.00000 0.21043 0.44531 1.00000
Te10 Te 0.00000 0.78957 0.55469 1.00000
Te11 Te 0.50000 0.28957 0.94531 1.00000
Te12 Te 0.50000 0.71043 0.05469 1.00000
Te13 Te 0.00000 0.46492 0.32480 1.00000
Te14 Te 0.00000 0.53508 0.67520 1.00000
Te15 Te 0.50000 0.03508 0.82480 1.00000
Te16 Te 0.50000 0.96492 0.17520 1.00000
