Sr2La2MnCuO8
Alexandria ALEXAlex-ID: agm005266417 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E8_93_spg12
Sr3LaMn2O8 Sr(CuO2)2 La2CuO4 SrCuO2 La2O3
2023-05-12 04:40:55.926946
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005266417).
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 agm005266417
data_agm005266417
_cell_length_a 6.98773
_cell_length_b 6.98773
_cell_length_c 15.40192
_cell_angle_alpha 73.61535
_cell_angle_beta 73.61535
_cell_angle_gamma 32.06481
_cell_volume 381.66362
_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
Sr1 Sr 0.64206 0.64206 0.96472 1.00000
Sr2 Sr 0.64666 0.64666 0.21560 1.00000
Sr3 Sr 0.35334 0.35334 0.78440 1.00000
Sr4 Sr 0.35794 0.35794 0.03528 1.00000
La1 La 0.63441 0.63441 0.71240 1.00000
La2 La 0.64151 0.64151 0.46296 1.00000
La3 La 0.36559 0.36559 0.28760 1.00000
La4 La 0.35849 0.35849 0.53704 1.00000
Mn1 Mn 0.99591 0.99591 0.87501 1.00000
Mn2 Mn 0.00409 0.00409 0.12499 1.00000
Cu1 Cu 0.99625 0.99625 0.62464 1.00000
Cu2 Cu 0.00375 0.00375 0.37536 1.00000
O1 O 0.99771 0.99771 0.74911 1.00000
O2 O 0.00000 0.00000 0.00000 1.00000
O3 O 0.00229 0.00229 0.25089 1.00000
O4 O 0.00000 0.00000 0.50000 1.00000
O5 O 0.81426 0.81426 0.65961 1.00000
O6 O 0.84079 0.84079 0.91430 1.00000
O7 O 0.84452 0.84452 0.17331 1.00000
O8 O 0.82148 0.82148 0.42202 1.00000
O9 O 0.49993 0.49993 0.62240 1.00000
O10 O 0.50056 0.50056 0.87216 1.00000
O11 O 0.49944 0.49944 0.12784 1.00000
O12 O 0.50007 0.50007 0.37760 1.00000
O13 O 0.15548 0.15548 0.82669 1.00000
O14 O 0.15921 0.15921 0.08570 1.00000
O15 O 0.18574 0.18574 0.34039 1.00000
O16 O 0.17852 0.17852 0.57798 1.00000
