YIO5
Alexandria ALEXAlex-ID: agm088917926 · Space group: Pna2_1 (#33)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_2387_spg33
YIO5
2025-03-22 09:15:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm088917926).
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 agm088917926
data_agm088917926
_cell_length_a 5.04007
_cell_length_b 7.80947
_cell_length_c 9.52331
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 374.84000
_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
Y1 Y 0.75537 0.48180 0.29708 1.00000
Y2 Y 0.25537 0.51820 0.70292 1.00000
Y3 Y 0.25537 0.01820 0.79708 1.00000
Y4 Y 0.75537 0.98180 0.20292 1.00000
I1 I 0.72090 0.17229 0.54892 1.00000
I2 I 0.22090 0.82771 0.45108 1.00000
I3 I 0.22090 0.32771 0.04892 1.00000
I4 I 0.72090 0.67229 0.95108 1.00000
O1 O 0.90826 0.38042 0.53400 1.00000
O2 O 0.93383 0.73871 0.34833 1.00000
O3 O 0.93383 0.23871 0.15167 1.00000
O4 O 0.90826 0.88042 0.96600 1.00000
O5 O 0.43383 0.76129 0.84833 1.00000
O6 O 0.40826 0.11958 0.03400 1.00000
O7 O 0.40826 0.61958 0.46600 1.00000
O8 O 0.43383 0.26129 0.65167 1.00000
O9 O 0.35627 0.41088 0.21278 1.00000
O10 O 0.85627 0.58912 0.78722 1.00000
O11 O 0.85627 0.08912 0.71278 1.00000
O12 O 0.35627 0.91088 0.28722 1.00000
O13 O 0.58631 0.21398 0.37078 1.00000
O14 O 0.08631 0.78602 0.62922 1.00000
O15 O 0.08631 0.28602 0.87078 1.00000
O16 O 0.58631 0.71398 0.12922 1.00000
O17 O 0.48921 0.95650 0.56699 1.00000
O18 O 0.98921 0.04350 0.43301 1.00000
O19 O 0.98921 0.54350 0.06699 1.00000
O20 O 0.48921 0.45650 0.93301 1.00000
