DyBO3
Alexandria ALEXAlex-ID: agm005284803 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_135_spg2
DyBO3
2023-05-08 00:08:23.772839
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284803).
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 agm005284803
data_agm005284803
_cell_length_a 6.18783
_cell_length_b 6.39178
_cell_length_c 6.40957
_cell_angle_alpha 92.57197
_cell_angle_beta 107.14261
_cell_angle_gamma 107.11839
_cell_volume 229.09499
_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
Dy1 Dy 0.54522 0.26825 0.83284 1.00000
Dy2 Dy 0.45478 0.73175 0.16716 1.00000
Dy3 Dy 0.94368 0.81856 0.72362 1.00000
Dy4 Dy 0.05632 0.18144 0.27638 1.00000
B1 B 0.97808 0.27833 0.76381 1.00000
B2 B 0.02192 0.72167 0.23619 1.00000
B3 B 0.48144 0.76203 0.71810 1.00000
B4 B 0.51856 0.23797 0.28190 1.00000
O1 O 0.41096 0.35565 0.12731 1.00000
O2 O 0.58904 0.64435 0.87269 1.00000
O3 O 0.45384 0.22337 0.46827 1.00000
O4 O 0.54616 0.77663 0.53173 1.00000
O5 O 0.88573 0.79514 0.34170 1.00000
O6 O 0.11427 0.20486 0.65830 1.00000
O7 O 0.65388 0.12544 0.21764 1.00000
O8 O 0.34612 0.87456 0.78236 1.00000
O9 O 0.13128 0.87117 0.11378 1.00000
O10 O 0.86872 0.12883 0.88622 1.00000
O11 O 0.07489 0.53033 0.24980 1.00000
O12 O 0.92511 0.46967 0.75020 1.00000
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