AlSbO3
Alexandria ALEXAlex-ID: agm005226451 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1975_spg62
AlSbO3
2023-05-08 08:26:35.532921
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226451).
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 agm005226451
data_agm005226451
_cell_length_a 5.22981
_cell_length_b 5.41339
_cell_length_c 9.24390
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 261.70432
_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 0.95947 0.54773 0.75000 1.00000
Al2 Al 0.45947 0.95227 0.25000 1.00000
Al3 Al 0.54053 0.04773 0.75000 1.00000
Al4 Al 0.04053 0.45227 0.25000 1.00000
Sb1 Sb 0.00000 0.00000 0.50000 1.00000
Sb2 Sb 0.50000 0.50000 0.50000 1.00000
Sb3 Sb 0.50000 0.50000 0.00000 1.00000
Sb4 Sb 0.00000 0.00000 0.00000 1.00000
O1 O 0.63616 0.85069 0.40261 1.00000
O2 O 0.13616 0.64931 0.59739 1.00000
O3 O 0.86384 0.35069 0.09739 1.00000
O4 O 0.36384 0.14931 0.90261 1.00000
O5 O 0.36384 0.14931 0.59739 1.00000
O6 O 0.86384 0.35069 0.40261 1.00000
O7 O 0.13616 0.64931 0.90261 1.00000
O8 O 0.63616 0.85069 0.09739 1.00000
O9 O 0.16950 0.76349 0.25000 1.00000
O10 O 0.66950 0.73651 0.75000 1.00000
O11 O 0.33050 0.26349 0.25000 1.00000
O12 O 0.83050 0.23651 0.75000 1.00000
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