BaNaMn2(SiO3)4
Alexandria ALEXAlex-ID: agm010499152 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E12_50_spg5
Mn7SiO12 BaSi2O5 Na2Mn(Si2O5)2 BaMnSi3O8 Ba2MnSi2O7
2024-04-23 01:04:19.360360
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010499152).
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 agm010499152
data_agm010499152
_cell_length_a 6.91903
_cell_length_b 6.91903
_cell_length_c 5.37101
_cell_angle_alpha 78.77560
_cell_angle_beta 78.77560
_cell_angle_gamma 86.64246
_cell_volume 247.32725
_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
Ba1 Ba 0.69145 0.30855 0.00000 1.00000
Na1 Na 0.30143 0.69857 0.50000 1.00000
Mn1 Mn 0.10586 0.89414 0.00000 1.00000
Mn2 Mn 0.90435 0.09565 0.50000 1.00000
Si1 Si 0.80632 0.63240 0.44859 1.00000
Si2 Si 0.36760 0.19368 0.55141 1.00000
Si3 Si 0.19229 0.37423 0.03948 1.00000
Si4 Si 0.62577 0.80771 0.96052 1.00000
O1 O 0.66404 0.64664 0.22722 1.00000
O2 O 0.35336 0.33596 0.77278 1.00000
O3 O 0.31946 0.34748 0.28185 1.00000
O4 O 0.65252 0.68054 0.71815 1.00000
O5 O 0.88599 0.40944 0.51610 1.00000
O6 O 0.59056 0.11401 0.48390 1.00000
O7 O 0.11061 0.59603 0.95900 1.00000
O8 O 0.40397 0.88939 0.04100 1.00000
O9 O 0.97334 0.80646 0.36115 1.00000
O10 O 0.19354 0.02666 0.63885 1.00000
O11 O 0.04421 0.18677 0.10806 1.00000
O12 O 0.81323 0.95579 0.89194 1.00000
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