TbYCr2O6
Alexandria ALEXAlex-ID: agm055705359 · Space group: Pmc2_1 (#26)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2129_spg26
YCrO3 TbCrO3
2025-01-29 00:28:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm055705359).
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 agm055705359
data_agm055705359
_cell_length_a 5.32163
_cell_length_b 5.61751
_cell_length_c 7.67169
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 229.33995
_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
Tb1 Tb 0.26879 0.56681 0.50000 1.00000
Tb2 Tb 0.73121 0.06681 0.50000 1.00000
Y1 Y 0.23129 0.43269 0.00000 1.00000
Y2 Y 0.76871 0.93269 0.00000 1.00000
Cr1 Cr 0.25019 0.99986 0.75028 1.00000
Cr2 Cr 0.74981 0.49986 0.24972 1.00000
Cr3 Cr 0.25019 0.99986 0.24972 1.00000
Cr4 Cr 0.74981 0.49986 0.75028 1.00000
O1 O 0.55661 0.80219 0.30686 1.00000
O2 O 0.44339 0.30219 0.69314 1.00000
O3 O 0.94300 0.19715 0.80746 1.00000
O4 O 0.05700 0.69715 0.19254 1.00000
O5 O 0.94300 0.19715 0.19254 1.00000
O6 O 0.05700 0.69715 0.80746 1.00000
O7 O 0.55661 0.80219 0.69314 1.00000
O8 O 0.44339 0.30219 0.30686 1.00000
O9 O 0.13942 0.96077 0.50000 1.00000
O10 O 0.86058 0.46077 0.50000 1.00000
O11 O 0.36200 0.04085 0.00000 1.00000
O12 O 0.63800 0.54085 0.00000 1.00000
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