Sr4Mn2Nb4Bi4O23
Alexandria ALEXAlex-ID: agm005263469 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C4D4E23_0_spg12
Mn2BiO5 Sr2Nb2O7 Mn3O4 Bi2O3
2024-10-13 10:26:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005263469).
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 agm005263469
data_agm005263469
_cell_length_a 5.63207
_cell_length_b 5.62352
_cell_length_c 16.59920
_cell_angle_alpha 89.88893
_cell_angle_beta 80.23260
_cell_angle_gamma 89.34530
_cell_volume 518.07635
_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 0.43543 0.49413 0.11518 1.00000
Sr2 Sr 0.94939 0.00587 0.11518 1.00000
Sr3 Sr 0.06457 0.00587 0.88482 1.00000
Sr4 Sr 0.55061 0.49413 0.88482 1.00000
Mn1 Mn 0.49797 0.00364 0.00000 1.00000
Mn2 Mn 0.00203 0.49636 1.00000 1.00000
Nb1 Nb 0.12453 0.50021 0.75361 1.00000
Nb2 Nb 0.62185 0.99979 0.75361 1.00000
Nb3 Nb 0.37547 0.99979 0.24639 1.00000
Nb4 Nb 0.87815 0.50021 0.24639 1.00000
Bi1 Bi 0.24768 0.49303 0.42379 1.00000
Bi2 Bi 0.82852 0.00697 0.42379 1.00000
Bi3 Bi 0.25232 0.00697 0.57621 1.00000
Bi4 Bi 0.67148 0.49303 0.57621 1.00000
O1 O 0.25640 0.45847 0.64114 1.00000
O2 O 0.60246 0.04153 0.64114 1.00000
O3 O 0.24360 0.04153 0.35886 1.00000
O4 O 0.89754 0.45847 0.35886 1.00000
O5 O 0.14391 0.25000 0.21219 1.00000
O6 O 0.61977 0.75000 0.26046 1.00000
O7 O 0.86938 0.25000 0.76124 1.00000
O8 O 0.36497 0.75000 0.77007 1.00000
O9 O 0.35609 0.25000 0.78781 1.00000
O10 O 0.88023 0.75000 0.73954 1.00000
O11 O 0.63062 0.25000 0.23876 1.00000
O12 O 0.13503 0.75000 0.22993 1.00000
O13 O 0.00861 0.54355 0.88283 1.00000
O14 O 0.60856 0.95645 0.88283 1.00000
O15 O 0.49139 0.95645 0.11717 1.00000
O16 O 0.89144 0.54355 0.11717 1.00000
O17 O 0.99759 0.25000 0.50483 1.00000
O18 O 0.50065 0.75000 0.49870 1.00000
O19 O 0.50241 0.25000 0.49517 1.00000
O20 O 0.99935 0.75000 0.50130 1.00000
O21 O 0.25000 0.25000 0.00000 1.00000
O22 O 0.25000 0.75000 0.00000 1.00000
O23 O 0.75000 0.25000 0.00000 1.00000
