Sr2MgIn6Rh
Alexandria ALEXAlex-ID: agm004944094 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_413_spg2
MgIn2Rh SrIn2
2023-01-14 13:58:04.082844
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004944094).
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 agm004944094
data_agm004944094
_cell_length_a 7.57905
_cell_length_b 7.24401
_cell_length_c 7.28530
_cell_angle_alpha 59.96888
_cell_angle_beta 60.72660
_cell_angle_gamma 89.78051
_cell_volume 286.28572
_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 0.45707 0.82055 0.36206 1.00000
Sr2 Sr 0.54293 0.17945 0.63794 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
In1 In 0.14073 0.65415 0.00433 1.00000
In2 In 0.85894 0.85401 0.80264 1.00000
In3 In 0.14273 0.34108 0.51379 1.00000
In4 In 0.85927 0.34585 0.99567 1.00000
In5 In 0.14106 0.14599 0.19736 1.00000
In6 In 0.85727 0.65892 0.48621 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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