Ce4CrO10
Alexandria ALEXAlex-ID: agm006010198 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_8_spg166
CrO2 CeO2
2023-08-08 09:53:14.069490
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010198).
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 agm006010198
data_agm006010198
_cell_length_a 3.80769
_cell_length_b 3.80769
_cell_length_c 15.39358
_cell_angle_alpha 82.89558
_cell_angle_beta 82.89558
_cell_angle_gamma 60.00000
_cell_volume 191.30215
_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 0.39468 0.39468 0.81597 1.00000
Ce2 Ce 0.79823 0.79823 0.60531 1.00000
Ce3 Ce 0.20177 0.20177 0.39469 1.00000
Ce4 Ce 0.60532 0.60532 0.18403 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
O1 O 0.95641 0.95641 0.13077 1.00000
O2 O 0.14919 0.14919 0.55243 1.00000
O3 O 0.55276 0.55276 0.34171 1.00000
O4 O 0.34236 0.34236 0.97292 1.00000
O5 O 0.74567 0.74567 0.76298 1.00000
O6 O 0.65764 0.65764 0.02708 1.00000
O7 O 0.85081 0.85081 0.44757 1.00000
O8 O 0.25433 0.25433 0.23702 1.00000
O9 O 0.04359 0.04359 0.86923 1.00000
O10 O 0.44724 0.44724 0.65829 1.00000
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