RbLaCuO3
Alexandria ALEXAlex-ID: agm002228486 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_53_spg12
RbCuO2 RbCuO La2O3
2018-07-20 17:14:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002228486).
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 agm002228486
data_agm002228486
_cell_length_a 4.01511
_cell_length_b 6.94620
_cell_length_c 7.78575
_cell_angle_alpha 104.50044
_cell_angle_beta 90.00906
_cell_angle_gamma 106.80479
_cell_volume 200.63102
_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 0.14152 0.28264 0.26403 1.00000
O2 O 0.16164 0.32352 0.87240 1.00000
O3 O 0.49188 0.98337 0.19419 1.00000
O4 O 0.83836 0.67648 0.12760 1.00000
O5 O 0.50812 0.01663 0.80581 1.00000
O6 O 0.85848 0.71736 0.73597 1.00000
Cu1 Cu 0.99111 0.98190 0.20186 1.00000
Cu2 Cu 0.00889 0.01810 0.79814 1.00000
Rb1 Rb 0.64026 0.28051 0.56260 1.00000
Rb2 Rb 0.35974 0.71949 0.43740 1.00000
La1 La 0.35050 0.70109 0.92096 1.00000
La2 La 0.64950 0.29891 0.07904 1.00000
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