Sr8MnRu3O16
Alexandria ALEXAlex-ID: agm021196442 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8D16_5_spg82
Sr6Mn(RuO6)2 Sr2RuO4
2024-11-16 11:06:20.539131
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021196442).
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 agm021196442
data_agm021196442
_cell_length_a 13.38115
_cell_length_b 13.38115
_cell_length_c 13.38115
_cell_angle_alpha 155.97915
_cell_angle_beta 155.97915
_cell_angle_gamma 34.22912
_cell_volume 396.61641
_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 0.92439 0.42439 0.50000 1.00000
Sr2 Sr 0.42594 0.92594 0.50000 1.00000
Sr3 Sr 0.32171 0.32171 0.00000 1.00000
Sr4 Sr 0.82171 0.82171 0.00000 1.00000
Sr5 Sr 0.57561 0.07561 0.50000 1.00000
Sr6 Sr 0.07406 0.57406 0.50000 1.00000
Sr7 Sr 0.67829 0.67829 0.00000 1.00000
Sr8 Sr 0.17829 0.17829 0.00000 1.00000
Mn1 Mn 0.75000 0.25000 0.50000 1.00000
Ru1 Ru 0.25000 0.75000 0.50000 1.00000
Ru2 Ru 0.50000 0.50000 0.00000 1.00000
Ru3 Ru 0.00000 0.00000 0.00000 1.00000
O1 O 0.82770 0.32770 0.50000 1.00000
O2 O 0.32952 0.82952 0.50000 1.00000
O3 O 0.41812 0.41812 0.00000 1.00000
O4 O 0.91812 0.91812 0.00000 1.00000
O5 O 0.67230 0.17230 0.50000 1.00000
O6 O 0.17048 0.67048 0.50000 1.00000
O7 O 0.58188 0.58188 0.00000 1.00000
O8 O 0.08188 0.08188 0.00000 1.00000
O9 O 0.71545 0.78519 0.49997 1.00000
O10 O 0.78452 0.28455 0.06974 1.00000
O11 O 0.98726 0.52257 0.00986 1.00000
O12 O 0.02260 0.01274 0.53531 1.00000
O13 O 0.28522 0.21548 0.50003 1.00000
O14 O 0.21481 0.71478 0.93026 1.00000
O15 O 0.51271 0.97740 0.99014 1.00000
O16 O 0.47743 0.48729 0.46469 1.00000
