Yb2O3
Alexandria ALEXAlex-ID: agm005238430 · Space group: Ia-3 (#206)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_4_spg206
Yb2O3
2022-12-02 08:00:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005238430).
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 agm005238430
data_agm005238430
_cell_length_a 9.19762
_cell_length_b 9.19762
_cell_length_c 9.19762
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 598.96866
_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
Yb1 Yb 0.49997 0.50000 0.00000 1.00000
Yb2 Yb 0.00000 0.49997 0.50000 1.00000
Yb3 Yb 0.50000 0.00000 0.49997 1.00000
Yb4 Yb 0.00003 0.00003 0.00003 1.00000
Yb5 Yb 0.21689 0.75000 0.96689 1.00000
Yb6 Yb 0.25000 0.53311 0.28311 1.00000
Yb7 Yb 0.96689 0.21689 0.75000 1.00000
Yb8 Yb 0.28311 0.25000 0.53311 1.00000
Yb9 Yb 0.75000 0.96689 0.21689 1.00000
Yb10 Yb 0.53311 0.28311 0.25000 1.00000
Yb11 Yb 0.71691 0.75000 0.46691 1.00000
Yb12 Yb 0.25000 0.03309 0.78309 1.00000
Yb13 Yb 0.46691 0.71691 0.75000 1.00000
Yb14 Yb 0.78309 0.25000 0.03309 1.00000
Yb15 Yb 0.75000 0.46691 0.71691 1.00000
Yb16 Yb 0.03309 0.78309 0.25000 1.00000
O1 O 0.46611 0.73708 0.00827 1.00000
O2 O 0.45784 0.49173 0.22882 1.00000
O3 O 0.22903 0.27118 0.76292 1.00000
O4 O 0.22882 0.45784 0.49173 1.00000
O5 O 0.76292 0.22903 0.27118 1.00000
O6 O 0.00827 0.46611 0.73708 1.00000
O7 O 0.27118 0.76292 0.22903 1.00000
O8 O 0.73708 0.00827 0.46611 1.00000
O9 O 0.49173 0.22882 0.45784 1.00000
O10 O 0.03389 0.04216 0.27097 1.00000
O11 O 0.04216 0.27097 0.03389 1.00000
O12 O 0.27097 0.03389 0.04216 1.00000
O13 O 0.54217 0.50830 0.77125 1.00000
O14 O 0.77092 0.72875 0.23705 1.00000
O15 O 0.53387 0.26295 0.99170 1.00000
O16 O 0.23705 0.77092 0.72875 1.00000
O17 O 0.99170 0.53387 0.26295 1.00000
O18 O 0.77125 0.54217 0.50830 1.00000
O19 O 0.26295 0.99170 0.53387 1.00000
O20 O 0.50830 0.77125 0.54217 1.00000
O21 O 0.72875 0.23705 0.77092 1.00000
O22 O 0.95783 0.72908 0.96613 1.00000
O23 O 0.72908 0.96613 0.95783 1.00000
O24 O 0.96613 0.95783 0.72908 1.00000
