Sr8MgMn6O20
Alexandria ALEXAlex-ID: agm005290771 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8D20_2_spg1
MgMn2O4 Sr5Mn5O13 Mg6MnO8 Sr7Mn4O15
2024-10-13 11:25:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290771).
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 agm005290771
data_agm005290771
_cell_length_a 5.59508
_cell_length_b 6.81462
_cell_length_c 14.23304
_cell_angle_alpha 91.10523
_cell_angle_beta 85.67095
_cell_angle_gamma 114.51268
_cell_volume 492.31756
_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 0.19757 0.48423 0.03126 1.00000
Sr2 Sr 0.74279 0.50610 0.85154 1.00000
Sr3 Sr 0.80562 0.48521 0.45063 1.00000
Sr4 Sr 0.28574 0.51425 0.63035 1.00000
Sr5 Sr 0.99618 0.94005 0.64099 1.00000
Sr6 Sr 0.09972 0.08707 0.39207 1.00000
Sr7 Sr 0.51045 0.07873 0.13266 1.00000
Sr8 Sr 0.45945 0.93992 0.85034 1.00000
Mg1 Mg 0.10549 0.56196 0.23721 1.00000
Mn1 Mn 0.64634 0.24654 0.65710 1.00000
Mn2 Mn 0.44318 0.75978 0.35974 1.00000
Mn3 Mn 0.84145 0.76610 0.14963 1.00000
Mn4 Mn 0.11014 0.23486 0.84137 1.00000
Mn5 Mn 0.54279 0.99499 0.51107 1.00000
Mn6 Mn 0.97726 0.98621 0.99091 1.00000
O1 O 0.36751 0.23331 0.74845 1.00000
O2 O 0.05836 0.83402 0.25395 1.00000
O3 O 0.51576 0.74550 0.21984 1.00000
O4 O 0.87285 0.21771 0.75212 1.00000
O5 O 0.21694 0.79094 0.47428 1.00000
O6 O 0.40212 0.21099 0.53891 1.00000
O7 O 0.32110 0.21107 0.94716 1.00000
O8 O 0.13326 0.81723 0.04435 1.00000
O9 O 0.88144 0.21362 0.54731 1.00000
O10 O 0.67821 0.78330 0.47910 1.00000
O11 O 0.65558 0.75358 0.03176 1.00000
O12 O 0.83914 0.18895 0.94749 1.00000
O13 O 0.80631 0.54951 0.65695 1.00000
O14 O 0.19452 0.46540 0.35164 1.00000
O15 O 0.97508 0.08652 0.11841 1.00000
O16 O 0.96382 0.90615 0.85580 1.00000
O17 O 0.47488 0.91996 0.64622 1.00000
O18 O 0.81061 0.47192 0.15641 1.00000
O19 O 0.25021 0.54211 0.85029 1.00000
O20 O 0.61574 0.07402 0.37663 1.00000
