Sr8Nb5Cr3O24
Alexandria ALEXAlex-ID: agm010655337 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8D24_0_spg123
Sr2NbCrO6 Sr5Nb4O15 Cr
2025-02-27 20:28:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010655337).
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 agm010655337
data_agm010655337
_cell_length_a 8.05218
_cell_length_b 8.05745
_cell_length_c 8.02393
_cell_angle_alpha 90.06799
_cell_angle_beta 89.90816
_cell_angle_gamma 89.89647
_cell_volume 520.59084
_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 0.75796 0.76127 0.23035 1.00000
Sr2 Sr 0.75638 0.24387 0.23284 1.00000
Sr3 Sr 0.75856 0.75967 0.77239 1.00000
Sr4 Sr 0.75933 0.24420 0.77257 1.00000
Sr5 Sr 0.24362 0.75613 0.76716 1.00000
Sr6 Sr 0.24067 0.75580 0.22743 1.00000
Sr7 Sr 0.24144 0.24033 0.22761 1.00000
Sr8 Sr 0.24204 0.23873 0.76965 1.00000
Nb1 Nb 0.50000 0.50000 0.00000 1.00000
Nb2 Nb 0.00000 0.00000 0.50000 1.00000
Nb3 Nb 0.00000 0.50000 0.50000 1.00000
Nb4 Nb 0.50000 0.00000 0.50000 1.00000
Nb5 Nb 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Cr2 Cr 0.00000 0.50000 0.00000 1.00000
Cr3 Cr 0.50000 0.00000 0.00000 1.00000
O1 O 0.99364 0.99773 0.25211 1.00000
O2 O 0.02853 0.50059 0.25208 1.00000
O3 O 0.50898 0.02504 0.25193 1.00000
O4 O 0.47261 0.47229 0.25046 1.00000
O5 O 0.00636 0.00227 0.74789 1.00000
O6 O 0.97147 0.49941 0.74792 1.00000
O7 O 0.49102 0.97496 0.74807 1.00000
O8 O 0.52739 0.52771 0.74954 1.00000
O9 O 0.74941 0.00819 0.99252 1.00000
O10 O 0.74872 0.49177 0.02598 1.00000
O11 O 0.25059 0.99181 0.00748 1.00000
O12 O 0.25128 0.50823 0.97402 1.00000
O13 O 0.75027 0.96184 0.50665 1.00000
O14 O 0.74923 0.53458 0.46930 1.00000
O15 O 0.24973 0.03816 0.49335 1.00000
O16 O 0.25077 0.46542 0.53070 1.00000
O17 O 0.99156 0.74940 0.99856 1.00000
O18 O 0.00844 0.25060 0.00144 1.00000
O19 O 0.50708 0.74879 0.02532 1.00000
O20 O 0.49292 0.25121 0.97468 1.00000
O21 O 0.03710 0.75024 0.50300 1.00000
O22 O 0.96290 0.24976 0.49700 1.00000
O23 O 0.46239 0.74944 0.47466 1.00000
O24 O 0.53761 0.25056 0.52534 1.00000
