Sr8Ce4O
Alexandria ALEXAlex-ID: agm097939241 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1385_spg5
CeO Sr Ce
2025-06-22 13:57:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097939241).
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 agm097939241
data_agm097939241
_cell_length_a 3.87143
_cell_length_b 12.96291
_cell_length_c 12.95260
_cell_angle_alpha 59.46169
_cell_angle_beta 90.78559
_cell_angle_gamma 90.63792
_cell_volume 559.80118
_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 0.36408 0.15681 0.18536 1.00000
Sr2 Sr 0.31458 0.65750 0.17635 1.00000
Sr3 Sr 0.35743 0.65942 0.67126 1.00000
Sr4 Sr 0.44257 0.15818 0.67751 1.00000
Sr5 Sr 0.68470 0.82465 0.34150 1.00000
Sr6 Sr 0.65288 0.32868 0.34029 1.00000
Sr7 Sr 0.55707 0.32125 0.84287 1.00000
Sr8 Sr 0.62592 0.81547 0.84367 1.00000
Ce1 Ce 0.00215 0.01486 0.98466 1.00000
Ce2 Ce 0.99455 0.48505 0.00660 1.00000
Ce3 Ce 0.99882 0.48812 0.51248 1.00000
Ce4 Ce 0.00381 0.99182 0.51660 1.00000
O1 O 0.50143 0.09819 0.90085 1.00000
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