Al2O3
Alexandria ALEXAlex-ID: agm005253418 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_4407_spg1
Al2O3
2024-10-07 15:47:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005253418).
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 agm005253418
data_agm005253418
_cell_length_a 5.56884
_cell_length_b 6.05563
_cell_length_c 13.37853
_cell_angle_alpha 75.31340
_cell_angle_beta 100.06231
_cell_angle_gamma 116.70702
_cell_volume 388.89666
_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
Al1 Al 0.81493 0.07017 0.09526 1.00000
Al2 Al 0.99193 0.77440 0.25927 1.00000
Al3 Al 0.64902 0.48259 0.42414 1.00000
Al4 Al 0.34382 0.16429 0.07086 1.00000
Al5 Al 0.73109 0.24854 0.26003 1.00000
Al6 Al 0.26169 0.31309 0.25502 1.00000
Al7 Al 0.40739 0.94019 0.42613 1.00000
Al8 Al 0.10486 0.74344 0.81965 1.00000
Al9 Al 0.33461 0.16667 0.63636 1.00000
Al10 Al 0.12670 0.40895 0.43957 1.00000
Al11 Al 0.19831 0.60432 0.64397 1.00000
Al12 Al 0.69997 0.70485 0.61627 1.00000
Al13 Al 0.03485 0.20016 0.84744 1.00000
Al14 Al 0.61617 0.63616 0.85755 1.00000
Al15 Al 0.06136 0.61160 0.07258 1.00000
Al16 Al 0.49985 0.03009 0.91331 1.00000
O1 O 0.35821 0.04071 0.26626 1.00000
O2 O 0.08732 0.51321 0.24932 1.00000
O3 O 0.42724 0.89880 0.06197 1.00000
O4 O 0.88161 0.03575 0.24411 1.00000
O5 O 0.13515 0.34755 0.58113 1.00000
O6 O 0.70701 0.32278 0.11083 1.00000
O7 O 0.47917 0.86334 0.56751 1.00000
O8 O 0.76108 0.21159 0.40738 1.00000
O9 O 0.63234 0.51661 0.26694 1.00000
O10 O 0.99919 0.86796 0.11021 1.00000
O11 O 0.63869 0.41521 0.57264 1.00000
O12 O 0.91586 0.62732 0.93855 1.00000
O13 O 0.19450 0.35272 0.10441 1.00000
O14 O 0.47145 0.67684 0.41381 1.00000
O15 O 0.35823 0.24939 0.92378 1.00000
O16 O 0.50084 0.55479 0.72972 1.00000
O17 O 0.05896 0.85117 0.61799 1.00000
O18 O 0.28880 0.21726 0.40940 1.00000
O19 O 0.39254 0.70588 0.90619 1.00000
O20 O 0.02321 0.68732 0.40842 1.00000
O21 O 0.89206 0.93361 0.78901 1.00000
O22 O 0.84153 0.14519 0.95027 1.00000
O23 O 0.01725 0.47338 0.76319 1.00000
O24 O 0.39208 0.05136 0.77106 1.00000
