Sr4Ta2O9
Alexandria ALEXAlex-ID: agm003239482 · Space group: P6_3/m (#176)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_2_spg2
Sr4Ta2O9
2021-12-24 01:45:13.697006
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239482).
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 agm003239482
data_agm003239482
_cell_length_a 5.93788
_cell_length_b 5.93838
_cell_length_c 15.85953
_cell_angle_alpha 89.99265
_cell_angle_beta 89.99209
_cell_angle_gamma 60.00028
_cell_volume 484.30763
_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 0.00008 0.99977 0.25015 1.00000
Sr2 Sr 0.00000 0.00000 0.50000 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Sr4 Sr 0.66664 0.66694 0.36217 1.00000
Sr5 Sr 0.66687 0.66587 0.13793 1.00000
Sr6 Sr 0.33313 0.33413 0.86207 1.00000
Sr7 Sr 0.33336 0.33306 0.63783 1.00000
Sr8 Sr 0.99992 0.00023 0.74985 1.00000
Ta1 Ta 0.66627 0.66740 0.84541 1.00000
Ta2 Ta 0.66676 0.66649 0.65457 1.00000
Ta3 Ta 0.33324 0.33351 0.34543 1.00000
Ta4 Ta 0.33373 0.33260 0.15459 1.00000
O1 O 0.59350 0.95969 0.74978 1.00000
O2 O 0.91970 0.72801 0.60224 1.00000
O3 O 0.91941 0.72968 0.89723 1.00000
O4 O 0.35180 0.91928 0.60241 1.00000
O5 O 0.35141 0.92075 0.89744 1.00000
O6 O 0.95921 0.44723 0.75000 1.00000
O7 O 0.44690 0.59386 0.75009 1.00000
O8 O 0.27205 0.64683 0.10210 1.00000
O9 O 0.27125 0.64877 0.39732 1.00000
O10 O 0.72875 0.35123 0.60268 1.00000
O11 O 0.72795 0.35317 0.89790 1.00000
O12 O 0.55310 0.40614 0.24991 1.00000
O13 O 0.04079 0.55277 0.25000 1.00000
O14 O 0.64859 0.07925 0.10256 1.00000
O15 O 0.64820 0.08072 0.39759 1.00000
O16 O 0.08059 0.27032 0.10277 1.00000
O17 O 0.08030 0.27199 0.39776 1.00000
O18 O 0.40650 0.04031 0.25022 1.00000
