Sr2In13Ir6
Alexandria ALEXAlex-ID: agm007931007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B6C13_3_spg12
SrIn4Ir In2Ir SrIn2Ir
2024-03-18 08:50:29.266570
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007931007).
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 agm007931007
data_agm007931007
_cell_length_a 8.83990
_cell_length_b 8.83990
_cell_length_c 13.57433
_cell_angle_alpha 62.28660
_cell_angle_beta 62.28660
_cell_angle_gamma 28.91249
_cell_volume 449.83089
_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 0.82311 0.82311 0.77328 1.00000
Sr2 Sr 0.17689 0.17689 0.22672 1.00000
In1 In 0.80010 0.80010 0.04158 1.00000
In2 In 0.00238 0.00238 0.82786 1.00000
In3 In 0.70344 0.70344 0.61852 1.00000
In4 In 0.50482 0.50482 0.32568 1.00000
In5 In 0.34708 0.34708 0.57424 1.00000
In6 In 0.19990 0.19990 0.95842 1.00000
In7 In 0.40474 0.40474 0.10306 1.00000
In8 In 0.99762 0.99762 0.17214 1.00000
In9 In 0.00000 0.00000 0.50000 1.00000
In10 In 0.65292 0.65292 0.42576 1.00000
In11 In 0.29656 0.29656 0.38148 1.00000
In12 In 0.59526 0.59526 0.89694 1.00000
In13 In 0.49518 0.49518 0.67432 1.00000
Ir1 Ir 0.82051 0.82051 0.23856 1.00000
Ir2 Ir 0.17949 0.17949 0.76144 1.00000
Ir3 Ir 0.11607 0.11607 0.58013 1.00000
Ir4 Ir 0.38769 0.38769 0.90894 1.00000
Ir5 Ir 0.61231 0.61231 0.09106 1.00000
Ir6 Ir 0.88393 0.88393 0.41987 1.00000
