RbMn2AlSi3NiO12
Alexandria ALEXAlex-ID: agm010346620 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E3F12_1_spg1
RbAlSi3O8 Mn7SiO12 Si(NiO2)2 MnNiO3 RbAlSiO4
2025-01-26 19:09:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010346620).
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 agm010346620
data_agm010346620
_cell_length_a 5.32047
_cell_length_b 5.33350
_cell_length_c 10.71409
_cell_angle_alpha 94.43380
_cell_angle_beta 94.14373
_cell_angle_gamma 118.57646
_cell_volume 264.11463
_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
Rb1 Rb 0.49175 0.49270 0.97584 1.00000
Mn1 Mn 0.66134 0.34654 0.50295 1.00000
Mn2 Mn 0.35258 0.66412 0.50660 1.00000
Al1 Al 0.77317 0.11446 0.76610 1.00000
Si1 Si 0.11573 0.77382 0.77082 1.00000
Si2 Si 0.22577 0.88697 0.23637 1.00000
Si3 Si 0.88752 0.22885 0.23607 1.00000
Ni1 Ni 0.99796 0.99893 0.50237 1.00000
O1 O 0.01613 0.00401 0.81792 1.00000
O2 O 0.04246 0.04337 0.18419 1.00000
O3 O 0.45199 0.90355 0.82691 1.00000
O4 O 0.92087 0.47519 0.82751 1.00000
O5 O 0.54043 0.04159 0.17902 1.00000
O6 O 0.04034 0.54103 0.17747 1.00000
O7 O 0.70782 0.06686 0.59848 1.00000
O8 O 0.07193 0.71445 0.61122 1.00000
O9 O 0.27695 0.92674 0.38971 1.00000
O10 O 0.93117 0.28519 0.38937 1.00000
O11 O 0.36241 0.36070 0.58830 1.00000
O12 O 0.63169 0.63095 0.41278 1.00000
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