Ce2ScCl6
Alexandria ALEXAlex-ID: agm003504580 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_101_spg12
Sc2Cl3 Ce2Cl5 Sc
2022-02-24 01:21:24.310498
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003504580).
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 agm003504580
data_agm003504580
_cell_length_a 3.88425
_cell_length_b 7.14173
_cell_length_c 10.37840
_cell_angle_alpha 78.71518
_cell_angle_beta 79.21457
_cell_angle_gamma 74.22023
_cell_volume 268.94402
_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 0.31819 0.07068 0.29294 1.00000
Ce2 Ce 0.68181 0.92932 0.70706 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.79108 0.29700 0.12084 1.00000
Cl2 Cl 0.20892 0.70300 0.87916 1.00000
Cl3 Cl 0.34238 0.77897 0.53626 1.00000
Cl4 Cl 0.99136 0.78888 0.22841 1.00000
Cl5 Cl 0.00864 0.21112 0.77159 1.00000
Cl6 Cl 0.65762 0.22103 0.46374 1.00000
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