CsTi4MnSe8
Alexandria ALEXAlex-ID: agm060916239 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_637_spg8
Cs(TiSe2)4 Mn
2025-01-16 19:13:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm060916239).
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 agm060916239
data_agm060916239
_cell_length_a 9.94162
_cell_length_b 9.94162
_cell_length_c 9.26047
_cell_angle_alpha 75.18633
_cell_angle_beta 104.81367
_cell_angle_gamma 158.85731
_cell_volume 318.76713
_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 0.99887 0.00113 0.00201 1.00000
Ti1 Ti 0.78980 0.21020 0.15415 1.00000
Ti2 Ti 0.20507 0.79493 0.83874 1.00000
Ti3 Ti 0.84171 0.15829 0.49616 1.00000
Ti4 Ti 0.49643 0.50357 0.50459 1.00000
Mn1 Mn 0.15232 0.84768 0.49837 1.00000
Se1 Se 0.58145 0.41855 0.33779 1.00000
Se2 Se 0.40579 0.59421 0.67053 1.00000
Se3 Se 0.25618 0.74382 0.33446 1.00000
Se4 Se 0.73952 0.26048 0.66200 1.00000
Se5 Se 0.92248 0.07752 0.32749 1.00000
Se6 Se 0.06968 0.93032 0.67612 1.00000
Se7 Se 0.66413 0.33587 0.99612 1.00000
Se8 Se 0.33199 0.66801 0.00146 1.00000
Get direct link