CeHoO3
Alexandria ALEXAlex-ID: agm002302736 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_58_spg167
Ce2O3 Ho2O3
2019-01-09 06:44:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002302736).
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 agm002302736
data_agm002302736
_cell_length_a 6.23617
_cell_length_b 6.23592
_cell_length_c 6.23592
_cell_angle_alpha 84.34569
_cell_angle_beta 124.95062
_cell_angle_gamma 121.70938
_cell_volume 161.80287
_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
O1 O 1.00000 0.14540 0.64540 1.00000
O2 O 0.50000 0.35459 0.35459 1.00000
O3 O 0.00000 0.85460 0.35460 1.00000
O4 O 0.50000 0.64541 0.64541 1.00000
O5 O 0.81839 0.25002 0.06837 1.00000
O6 O 0.18161 0.74998 0.93163 1.00000
Ho1 Ho 0.44488 0.25001 0.69488 1.00000
Ho2 Ho 0.55512 0.74999 0.30512 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.00000 0.50000 0.50000 1.00000
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