CeS9
Alexandria ALEXAlex-ID: agm058434697 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_112_spg4
CeS3 CeS13
2024-10-26 12:25:29.199234
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058434697).
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 agm058434697
data_agm058434697
_cell_length_a 7.92854
_cell_length_b 5.76638
_cell_length_c 11.49911
_cell_angle_alpha 92.83357
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 525.08507
_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
Ce1 Ce 0.95387 0.36563 0.96006 1.00000
Ce2 Ce 0.45387 0.63437 0.03994 1.00000
S1 S 0.65473 0.48495 0.68869 1.00000
S2 S 0.24258 0.74740 0.84548 1.00000
S3 S 0.03891 0.06183 0.47222 1.00000
S4 S 0.53891 0.93817 0.52778 1.00000
S5 S 0.15473 0.51505 0.31131 1.00000
S6 S 0.74258 0.25260 0.15452 1.00000
S7 S 0.11263 0.18260 0.63372 1.00000
S8 S 0.91783 0.12661 0.74910 1.00000
S9 S 0.28412 0.39363 0.85929 1.00000
S10 S 0.45414 0.64891 0.61641 1.00000
S11 S 0.11499 0.84283 0.99972 1.00000
S12 S 0.71076 0.64990 0.85034 1.00000
S13 S 0.21076 0.35010 0.14966 1.00000
S14 S 0.61499 0.15717 0.00028 1.00000
S15 S 0.95414 0.35109 0.38359 1.00000
S16 S 0.78412 0.60637 0.14071 1.00000
S17 S 0.41783 0.87339 0.25090 1.00000
S18 S 0.61263 0.81740 0.36628 1.00000
Get direct link