Sr3CaY2(SbO6)2
Alexandria ALEXAlex-ID: agm010736115 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_4_spg160
Ca2YSbO6 Sr2YSbO6
2024-05-14 21:58:26.746517
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010736115).
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
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# CIF generated by HEAS from Alexandria entry agm010736115
data_agm010736115
_cell_length_a 5.83297
_cell_length_b 5.87976
_cell_length_c 10.16301
_cell_angle_alpha 90.72620
_cell_angle_beta 106.18133
_cell_angle_gamma 119.54121
_cell_volume 286.49393
_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 0.74849 0.38904 0.12365 1.00000
Sr2 Sr 0.75734 0.89006 0.62394 1.00000
Sr3 Sr 0.24612 0.61018 0.87535 1.00000
Ca1 Ca 0.25038 0.09837 0.37716 1.00000
Y1 Y 0.99796 0.99868 0.00242 1.00000
Y2 Y 0.00205 0.50061 0.49756 1.00000
Sb1 Sb 0.49874 0.74947 0.25154 1.00000
Sb2 Sb 0.50133 0.25086 0.74836 1.00000
O1 O 0.30898 0.42175 0.10568 1.00000
O2 O 0.30750 0.93011 0.59726 1.00000
O3 O 0.69666 0.57644 0.89605 1.00000
O4 O 0.67082 0.08039 0.39384 1.00000
O5 O 0.27373 0.52240 0.36914 1.00000
O6 O 0.25882 0.04498 0.86335 1.00000
O7 O 0.74870 0.45995 0.63720 1.00000
O8 O 0.71940 0.95254 0.12847 1.00000
O9 O 0.80894 0.68496 0.34623 1.00000
O10 O 0.77821 0.14696 0.84305 1.00000
O11 O 0.20472 0.83987 0.16374 1.00000
O12 O 0.22108 0.35237 0.65602 1.00000
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