Mn2Cr(AuO3)2
Alexandria ALEXAlex-ID: agm033140648 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_25_spg12
Mn2O3 CrAuO2 Au2O3 MnAuO2
2024-09-23 01:09:56.535905
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033140648).
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 agm033140648
data_agm033140648
_cell_length_a 5.24992
_cell_length_b 5.24992
_cell_length_c 6.31153
_cell_angle_alpha 83.14899
_cell_angle_beta 83.14899
_cell_angle_gamma 117.84694
_cell_volume 149.64854
_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 0.33962 0.66038 0.50000 1.00000
Mn2 Mn 0.66038 0.33962 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.50000 1.00000
Au1 Au 0.82764 0.17236 0.00000 1.00000
Au2 Au 0.17236 0.82764 0.00000 1.00000
O1 O 0.37125 0.37125 0.35063 1.00000
O2 O 0.72283 0.06657 0.33119 1.00000
O3 O 0.62875 0.62875 0.64937 1.00000
O4 O 0.06657 0.72283 0.33119 1.00000
O5 O 0.27717 0.93343 0.66881 1.00000
O6 O 0.93343 0.27717 0.66881 1.00000
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