Mn5Cd(CoO6)2
Alexandria ALEXAlex-ID: agm010540322 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5D12_25_spg1
Co3O4 MnO2 Mn3Cd2O8 Mn2O3
2024-05-30 21:53:31.717296
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010540322).
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 agm010540322
data_agm010540322
_cell_length_a 5.10966
_cell_length_b 5.57815
_cell_length_c 9.15873
_cell_angle_alpha 69.35062
_cell_angle_beta 106.30496
_cell_angle_gamma 117.21686
_cell_volume 214.97971
_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
Mn1 Mn 0.26007 0.10080 0.42585 1.00000
Mn2 Mn 0.76359 0.60539 0.91534 1.00000
Mn3 Mn 0.24052 0.39567 0.07337 1.00000
Mn4 Mn 0.73240 0.89198 0.58414 1.00000
Mn5 Mn 0.53991 0.90301 0.17459 1.00000
Cd1 Cd 0.94630 0.57496 0.31896 1.00000
Co1 Co 0.45684 0.09955 0.81675 1.00000
Co2 Co 0.03740 0.39432 0.68428 1.00000
O1 O 0.77098 0.54521 0.71926 1.00000
O2 O 0.28564 0.06083 0.22112 1.00000
O3 O 0.30030 0.73969 0.53492 1.00000
O4 O 0.80787 0.24866 0.02300 1.00000
O5 O 0.32862 0.37020 0.88530 1.00000
O6 O 0.82782 0.90273 0.38918 1.00000
O7 O 0.72611 0.94924 0.78205 1.00000
O8 O 0.26908 0.45882 0.27673 1.00000
O9 O 0.19640 0.75816 0.97206 1.00000
O10 O 0.68386 0.24152 0.49603 1.00000
O11 O 0.16370 0.12188 0.61468 1.00000
O12 O 0.66260 0.63739 0.09237 1.00000
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