Sr2Pr2Fe3CoO12
Alexandria ALEXAlex-ID: agm010739360 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_2_spg115
SrPr2(FeO3)3 SrCoO3
2024-07-22 19:38:13.899606
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010739360).
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
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# CIF generated by HEAS from Alexandria entry agm010739360
data_agm010739360
_cell_length_a 5.53001
_cell_length_b 5.51603
_cell_length_c 7.80643
_cell_angle_alpha 90.10599
_cell_angle_beta 89.86994
_cell_angle_gamma 89.99364
_cell_volume 238.12398
_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 0.49517 0.48358 0.24847 1.00000
Sr2 Sr 0.00027 0.01736 0.75167 1.00000
Pr1 Pr 0.00647 0.96831 0.24500 1.00000
Pr2 Pr 0.51116 0.52897 0.75535 1.00000
Fe1 Fe 0.49939 0.00245 0.49991 1.00000
Fe2 Fe 0.99893 0.49701 0.49988 1.00000
Fe3 Fe 0.50177 0.00434 0.00060 1.00000
Co1 Co 0.00125 0.49822 0.99960 1.00000
O1 O 0.21743 0.22636 0.03529 1.00000
O2 O 0.26185 0.73120 0.47041 1.00000
O3 O 0.76712 0.76435 0.52996 1.00000
O4 O 0.72979 0.28215 0.96487 1.00000
O5 O 0.77242 0.76161 0.96782 1.00000
O6 O 0.72000 0.28246 0.53551 1.00000
O7 O 0.21498 0.22052 0.46420 1.00000
O8 O 0.26096 0.72989 0.03156 1.00000
O9 O 0.56846 0.00345 0.25028 1.00000
O10 O 0.94447 0.51526 0.24158 1.00000
O11 O 0.45334 0.98851 0.75039 1.00000
O12 O 0.07476 0.49399 0.75766 1.00000
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