Sr3Gd7Ru2
Alexandria ALEXAlex-ID: agm101229243 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
Gd3Ru Sr Gd
2025-05-17 15:42:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101229243).
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 agm101229243
data_agm101229243
_cell_length_a 7.19213
_cell_length_b 7.19213
_cell_length_c 10.44285
_cell_angle_alpha 69.79021
_cell_angle_beta 110.20979
_cell_angle_gamma 120.01291
_cell_volume 428.92394
_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 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.85516 0.14484 0.56561 1.00000
Sr3 Sr 0.14484 0.85516 0.43439 1.00000
Gd1 Gd 0.50000 0.50000 0.50000 1.00000
Gd2 Gd 0.43873 0.06789 0.80959 1.00000
Gd3 Gd 0.93211 0.56127 0.80959 1.00000
Gd4 Gd 0.43837 0.56163 0.80904 1.00000
Gd5 Gd 0.56127 0.93211 0.19041 1.00000
Gd6 Gd 0.56163 0.43837 0.19096 1.00000
Gd7 Gd 0.06789 0.43873 0.19041 1.00000
Ru1 Ru 0.66899 0.33101 0.00540 1.00000
Ru2 Ru 0.33101 0.66899 0.99460 1.00000
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