BaSr3Er2(SbO6)2
Alexandria ALEXAlex-ID: agm010734016 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_4_spg160
Sr2ErSbO6 Ba2ErSbO6
2024-11-02 07:49:51.046508
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010734016).
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 agm010734016
data_agm010734016
_cell_length_a 5.89189
_cell_length_b 5.92054
_cell_length_c 10.19180
_cell_angle_alpha 73.26875
_cell_angle_beta 73.52637
_cell_angle_gamma 60.25426
_cell_volume 291.34403
_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
Ba1 Ba 0.87306 0.87816 0.37492 1.00000
Sr1 Sr 0.63388 0.61679 0.12232 1.00000
Sr2 Sr 0.13592 0.11373 0.62441 1.00000
Sr3 Sr 0.36701 0.38233 0.87781 1.00000
Er1 Er 0.00019 0.00025 0.99771 1.00000
Er2 Er 0.50050 0.49929 0.50235 1.00000
Sb1 Sb 0.25016 0.25049 0.24798 1.00000
Sb2 Sb 0.74962 0.74953 0.75195 1.00000
O1 O 0.10759 0.59019 0.11157 1.00000
O2 O 0.59742 0.09283 0.61891 1.00000
O3 O 0.89784 0.41255 0.88876 1.00000
O4 O 0.37311 0.91248 0.38789 1.00000
O5 O 0.31925 0.41911 0.36840 1.00000
O6 O 0.78828 0.94268 0.87132 1.00000
O7 O 0.71046 0.55439 0.63282 1.00000
O8 O 0.20457 0.06126 0.12878 1.00000
O9 O 0.87393 0.36183 0.35004 1.00000
O10 O 0.37626 0.83250 0.85210 1.00000
O11 O 0.61871 0.16374 0.14078 1.00000
O12 O 0.12223 0.66587 0.64918 1.00000
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