Y2MnCrO6
Alexandria ALEXAlex-ID: agm005282376 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_6_spg14
YMnO3 YCrO3
2023-05-08 11:14:33.223540
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282376).
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 agm005282376
data_agm005282376
_cell_length_a 5.28895
_cell_length_b 5.62856
_cell_length_c 7.57723
_cell_angle_alpha 89.47163
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 225.55812
_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
Y1 Y 0.47850 0.92900 0.25454 1.00000
Y2 Y 0.52150 0.07100 0.74546 1.00000
Y3 Y 0.97850 0.57100 0.74546 1.00000
Y4 Y 0.02150 0.42900 0.25454 1.00000
Mn1 Mn 0.50000 0.50000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Cr2 Cr 0.50000 0.50000 0.00000 1.00000
O1 O 0.19249 0.69692 0.05825 1.00000
O2 O 0.80751 0.30308 0.94175 1.00000
O3 O 0.69249 0.80308 0.94175 1.00000
O4 O 0.30751 0.19692 0.05825 1.00000
O5 O 0.80813 0.30401 0.55304 1.00000
O6 O 0.19187 0.69599 0.44696 1.00000
O7 O 0.30813 0.19599 0.44696 1.00000
O8 O 0.69187 0.80401 0.55304 1.00000
O9 O 0.61039 0.53773 0.25301 1.00000
O10 O 0.38961 0.46227 0.74699 1.00000
O11 O 0.11039 0.96227 0.74699 1.00000
O12 O 0.88961 0.03773 0.25301 1.00000
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