Yb2MgCrO6
Alexandria ALEXAlex-ID: agm002299079 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
Yb2O3 YbCrO4 MgCr2O4 MgO
2018-10-16 16:48:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002299079).
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 agm002299079
data_agm002299079
_cell_length_a 5.37470
_cell_length_b 5.31409
_cell_length_c 5.29774
_cell_angle_alpha 59.86621
_cell_angle_beta 60.67883
_cell_angle_gamma 60.30396
_cell_volume 107.66843
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Yb1 Yb 0.76712 0.74777 0.73610 1.00000
Yb2 Yb 0.23288 0.25223 0.26390 1.00000
O1 O 0.32343 0.76438 0.14472 1.00000
O2 O 0.81585 0.19132 0.28609 1.00000
O3 O 0.18604 0.29167 0.71381 1.00000
O4 O 0.67657 0.23562 0.85528 1.00000
O5 O 0.81396 0.70833 0.28619 1.00000
O6 O 0.18415 0.80868 0.71391 1.00000
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