LaO3
Alexandria ALEXAlex-ID: agm005489928 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1086_spg63
LaO3
2023-03-19 05:00:21.900797
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005489928).
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 agm005489928
data_agm005489928
_cell_length_a 5.78855
_cell_length_b 4.05970
_cell_length_c 6.84942
_cell_angle_alpha 90.00191
_cell_angle_beta 100.74253
_cell_angle_gamma 134.52341
_cell_volume 110.76630
_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
La1 La 0.32733 0.07731 0.18789 1.00000
La2 La 0.67267 0.92269 0.81211 1.00000
O1 O 0.24456 0.49457 0.98280 1.00000
O2 O 0.24419 0.99409 0.60576 1.00000
O3 O 0.06739 0.31736 0.36935 1.00000
O4 O 0.75581 0.00591 0.39424 1.00000
O5 O 0.75544 0.50543 0.01720 1.00000
O6 O 0.93261 0.68264 0.63065 1.00000
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