SrTa(AsO4)2
Alexandria ALEXAlex-ID: agm004875010 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_293_spg12
SrTa4O11 As2O3 Sr(AsO3)2
2023-01-01 22:25:12.726594
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875010).
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 agm004875010
data_agm004875010
_cell_length_a 5.14486
_cell_length_b 5.14486
_cell_length_c 7.46062
_cell_angle_alpha 89.27691
_cell_angle_beta 89.27691
_cell_angle_gamma 69.35768
_cell_volume 184.77921
_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 0.00000 0.00000 0.50000 1.00000
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
As1 As 0.63028 0.63028 0.21530 1.00000
As2 As 0.36972 0.36972 0.78470 1.00000
O1 O 0.74292 0.21562 0.80272 1.00000
O2 O 0.76787 0.76787 0.03605 1.00000
O3 O 0.70887 0.70887 0.42181 1.00000
O4 O 0.29113 0.29113 0.57819 1.00000
O5 O 0.23213 0.23213 0.96395 1.00000
O6 O 0.21562 0.74292 0.80272 1.00000
O7 O 0.78438 0.25708 0.19728 1.00000
O8 O 0.25708 0.78438 0.19728 1.00000
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