YbIO
Alexandria ALEXAlex-ID: agm005228424 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7365_spg14
Yb3O4 YbI2 I
2023-05-06 01:13:46.258746
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228424).
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 agm005228424
data_agm005228424
_cell_length_a 5.82299
_cell_length_b 6.07885
_cell_length_c 10.65965
_cell_angle_alpha 81.87345
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 373.53130
_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 0.51746 0.72987 0.58135 1.00000
Yb2 Yb 0.98254 0.22987 0.58135 1.00000
Yb3 Yb 0.01746 0.77013 0.41865 1.00000
Yb4 Yb 0.48254 0.27013 0.41865 1.00000
I1 I 0.75019 0.91390 0.83650 1.00000
I2 I 0.74981 0.41390 0.83650 1.00000
I3 I 0.25019 0.58610 0.16350 1.00000
I4 I 0.24981 0.08610 0.16350 1.00000
O1 O 0.25002 0.99567 0.51721 1.00000
O2 O 0.24998 0.49567 0.51721 1.00000
O3 O 0.75002 0.50433 0.48279 1.00000
O4 O 0.74998 0.00433 0.48279 1.00000
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