Cs2Ho2TiS6
Alexandria ALEXAlex-ID: agm004580447 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_25_spg12
Cs4Ti3S14 CsHo3S5 Cs(TiS2)4 Cs2TiS3
2022-06-25 02:29:09.785942
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004580447).
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 agm004580447
data_agm004580447
_cell_length_a 6.69229
_cell_length_b 6.69229
_cell_length_c 8.53866
_cell_angle_alpha 97.96871
_cell_angle_beta 97.96871
_cell_angle_gamma 119.58171
_cell_volume 319.69875
_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 0.82970 0.17030 0.00000 1.00000
Cs2 Cs 0.17030 0.82970 0.00000 1.00000
Ho1 Ho 0.33295 0.66705 0.50000 1.00000
Ho2 Ho 0.66705 0.33295 0.50000 1.00000
Ti1 Ti 0.00000 0.00000 0.50000 1.00000
S1 S 0.75469 0.75469 0.67180 1.00000
S2 S 0.06186 0.36793 0.67379 1.00000
S3 S 0.24531 0.24531 0.32820 1.00000
S4 S 0.36793 0.06186 0.67379 1.00000
S5 S 0.93814 0.63207 0.32621 1.00000
S6 S 0.63207 0.93814 0.32621 1.00000
Get direct link