SrCeI6
Alexandria ALEXAlex-ID: agm078096832 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1557_spg11
SrCeI6
2025-01-10 07:31:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078096832).
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
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# CIF generated by HEAS from Alexandria entry agm078096832
data_agm078096832
_cell_length_a 7.82790
_cell_length_b 7.87625
_cell_length_c 14.16403
_cell_angle_alpha 90.33787
_cell_angle_beta 90.17883
_cell_angle_gamma 107.40438
_cell_volume 833.26976
_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
Sr1 Sr 0.49830 0.74118 0.75166 1.00000
Sr2 Sr 0.50170 0.25882 0.24834 1.00000
Ce1 Ce 0.00174 0.75879 0.24856 1.00000
Ce2 Ce 0.99826 0.24121 0.75144 1.00000
I1 I 0.23480 0.47219 0.90382 1.00000
I2 I 0.76147 0.01015 0.59930 1.00000
I3 I 0.76423 0.01502 0.90375 1.00000
I4 I 0.23186 0.46852 0.59924 1.00000
I5 I 0.23853 0.98985 0.40070 1.00000
I6 I 0.76520 0.52781 0.09618 1.00000
I7 I 0.76814 0.53148 0.40076 1.00000
I8 I 0.23577 0.98498 0.09625 1.00000
I9 I 0.76808 0.00134 0.24834 1.00000
I10 I 0.23588 0.51670 0.24862 1.00000
I11 I 0.76412 0.48330 0.75138 1.00000
I12 I 0.23192 0.99866 0.75166 1.00000
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