SrTaNbSb2O9
Alexandria ALEXAlex-ID: agm010940319 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E9_11_spg4
SrNb2O6 SrTa2O6 Sb2O3
2025-02-02 23:03:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010940319).
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 agm010940319
data_agm010940319
_cell_length_a 5.62033
_cell_length_b 5.75327
_cell_length_c 12.89506
_cell_angle_alpha 90.00000
_cell_angle_beta 102.49437
_cell_angle_gamma 90.00000
_cell_volume 407.09014
_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 0.24950 0.97840 0.50004 1.00000
Sr2 Sr 0.75050 0.47840 0.49996 1.00000
Ta1 Ta 0.83211 0.97722 0.66375 1.00000
Ta2 Ta 0.16789 0.47722 0.33625 1.00000
Nb1 Nb 0.66866 0.97771 0.33340 1.00000
Nb2 Nb 0.33134 0.47771 0.66660 1.00000
Sb1 Sb 0.07392 0.13158 0.09702 1.00000
Sb2 Sb 0.48008 0.12526 0.90580 1.00000
Sb3 Sb 0.92608 0.63158 0.90298 1.00000
Sb4 Sb 0.51992 0.62526 0.09420 1.00000
O1 O 0.71878 0.77850 0.99686 1.00000
O2 O 0.22390 0.77841 0.00080 1.00000
O3 O 0.28122 0.27850 0.00314 1.00000
O4 O 0.77610 0.27841 0.99920 1.00000
O5 O 0.78695 0.94192 0.50140 1.00000
O6 O 0.21305 0.44192 0.49860 1.00000
O7 O 0.90764 0.69091 0.33839 1.00000
O8 O 0.06736 0.69235 0.66206 1.00000
O9 O 0.09236 0.19091 0.66161 1.00000
O10 O 0.93264 0.19235 0.33794 1.00000
O11 O 0.41991 0.71051 0.36195 1.00000
O12 O 0.55879 0.71203 0.63839 1.00000
O13 O 0.58009 0.21051 0.63805 1.00000
O14 O 0.44121 0.21203 0.36161 1.00000
O15 O 0.55092 0.93707 0.18405 1.00000
O16 O 0.86550 0.93718 0.81502 1.00000
O17 O 0.44908 0.43707 0.81595 1.00000
O18 O 0.13450 0.43718 0.18498 1.00000
