In3B4SbO12
Alexandria ALEXAlex-ID: agm010224901 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_5_spg155
B3SbO6 InBO3 Sb2O3
2024-04-21 08:14:02.791983
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010224901).
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 agm010224901
data_agm010224901
_cell_length_a 6.36753
_cell_length_b 6.36753
_cell_length_c 6.36753
_cell_angle_alpha 103.19690
_cell_angle_beta 103.19690
_cell_angle_gamma 103.19690
_cell_volume 233.76431
_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
In1 In 0.00000 0.45987 0.54013 1.00000
In2 In 0.45987 0.54013 0.00000 1.00000
In3 In 0.54013 0.00000 0.45987 1.00000
B1 B 0.04118 0.95882 0.50000 1.00000
B2 B 0.95882 0.50000 0.04118 1.00000
B3 B 0.50000 0.04118 0.95882 1.00000
B4 B 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
O1 O 0.90365 0.09635 0.50000 1.00000
O2 O 0.09635 0.50000 0.90365 1.00000
O3 O 0.50000 0.90365 0.09635 1.00000
O4 O 0.63825 0.36175 0.50000 1.00000
O5 O 0.36175 0.50000 0.63825 1.00000
O6 O 0.50000 0.63825 0.36175 1.00000
O7 O 0.97080 0.36473 0.18446 1.00000
O8 O 0.36473 0.18446 0.97080 1.00000
O9 O 0.18446 0.97080 0.36473 1.00000
O10 O 0.02920 0.81554 0.63527 1.00000
O11 O 0.63527 0.02920 0.81554 1.00000
O12 O 0.81554 0.63527 0.02920 1.00000
Get direct link