CeMn2CdO6
Alexandria ALEXAlex-ID: agm004948754 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Mn2CdO4 CeO2
2022-07-30 17:40:20.754218
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004948754).
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 agm004948754
data_agm004948754
_cell_length_a 5.53326
_cell_length_b 5.50172
_cell_length_c 5.78932
_cell_angle_alpha 59.07946
_cell_angle_beta 59.10592
_cell_angle_gamma 59.95067
_cell_volume 122.83995
_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 0.29653 0.29238 0.11591 1.00000
Mn1 Mn 0.51751 0.51266 0.44946 1.00000
Mn2 Mn 0.01383 0.01547 0.95223 1.00000
Cd1 Cd 0.78915 0.78842 0.63328 1.00000
O1 O 0.66817 0.23982 0.20584 1.00000
O2 O 0.26096 0.85673 0.23893 1.00000
O3 O 0.86920 0.66006 0.21890 1.00000
O4 O 0.35178 0.75207 0.74775 1.00000
O5 O 0.73005 0.18071 0.71525 1.00000
O6 O 0.16442 0.36329 0.73767 1.00000
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