O2
Alexandria ALEXAlex-ID: agm077786271 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A_115_spg62
O2
2025-01-12 22:27:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077786271).
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 agm077786271
data_agm077786271
_cell_length_a 5.37930
_cell_length_b 5.43478
_cell_length_c 11.12231
_cell_angle_alpha 92.56730
_cell_angle_beta 87.81280
_cell_angle_gamma 88.24605
_cell_volume 324.43084
_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
O1 O 0.19067 0.31843 0.77146 1.00000
O2 O 0.60463 0.32376 0.10297 1.00000
O3 O 0.68091 0.94967 0.84580 1.00000
O4 O 0.06415 0.81258 0.09463 1.00000
O5 O 0.68823 0.27414 0.59772 1.00000
O6 O 0.09730 0.79995 0.60414 1.00000
O7 O 0.70912 0.88839 0.34634 1.00000
O8 O 0.20169 0.39294 0.35531 1.00000
O9 O 0.14255 0.96446 0.02461 1.00000
O10 O 0.05687 0.43849 0.84660 1.00000
O11 O 0.64643 0.44238 0.52979 1.00000
O12 O 0.54734 0.85588 0.27227 1.00000
O13 O 0.19579 0.92421 0.52671 1.00000
O14 O 0.05258 0.34821 0.27639 1.00000
O15 O 0.56216 0.46114 0.02045 1.00000
O16 O 0.55959 0.80537 0.78480 1.00000
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