Cs2Hf2S5
Alexandria ALEXAlex-ID: agm009844934 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_244_spg12
Cs2HfS3 Cs4Hf3S14 Cs(HfS2)4
2024-04-19 23:47:44.545964
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009844934).
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 agm009844934
data_agm009844934
_cell_length_a 7.10344
_cell_length_b 7.10329
_cell_length_c 8.55595
_cell_angle_alpha 84.78541
_cell_angle_beta 117.98055
_cell_angle_gamma 122.97500
_cell_volume 311.85226
_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
Cs1 Cs 0.02774 0.88863 0.33330 1.00000
Cs2 Cs 0.54882 0.69372 0.65892 1.00000
Hf1 Hf 0.07772 0.46923 0.99448 1.00000
Hf2 Hf 0.46763 0.08225 0.99735 1.00000
S1 S 0.25106 0.25411 0.99596 1.00000
S2 S 0.44567 0.83804 0.22508 1.00000
S3 S 0.93848 0.34862 0.22517 1.00000
S4 S 0.60589 0.21974 0.76678 1.00000
S5 S 0.11652 0.71238 0.76670 1.00000
Get direct link