Sr2Cr2In3
Alexandria ALEXAlex-ID: agm002145146 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_95_spg12
Sr3In5 Cr SrIn
2018-05-28 15:00:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002145146).
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 agm002145146
data_agm002145146
_cell_length_a 4.96857
_cell_length_b 6.35300
_cell_length_c 7.13294
_cell_angle_alpha 70.95059
_cell_angle_beta 69.61766
_cell_angle_gamma 66.98072
_cell_volume 189.47204
_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 0.15063 0.46772 0.23103 1.00000
Sr2 Sr 0.84937 0.53228 0.76897 1.00000
Cr1 Cr 0.08321 0.97172 0.86185 1.00000
Cr2 Cr 0.91679 0.02828 0.13815 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
In2 In 0.35356 0.83682 0.45606 1.00000
In3 In 0.64644 0.16318 0.54394 1.00000
Get direct link