La3SmRu2
Alexandria ALEXAlex-ID: agm005688253 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1099_spg12
La7Ru3 SmRu2 Sm7Ru3
2023-08-24 16:15:34.440259
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688253).
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 agm005688253
data_agm005688253
_cell_length_a 4.88418
_cell_length_b 8.70346
_cell_length_c 11.11289
_cell_angle_alpha 49.34761
_cell_angle_beta 77.30549
_cell_angle_gamma 73.70468
_cell_volume 343.55824
_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
La1 La 0.06051 0.06982 0.80916 1.00000
La2 La 0.93949 0.93018 0.19084 1.00000
La3 La 0.68536 0.68704 0.94224 1.00000
La4 La 0.31464 0.31296 0.05776 1.00000
La5 La 0.81287 0.80840 0.56587 1.00000
La6 La 0.18713 0.19160 0.43413 1.00000
Sm1 Sm 0.43853 0.43973 0.68322 1.00000
Sm2 Sm 0.56147 0.56027 0.31678 1.00000
Ru1 Ru 0.87449 0.37645 0.87456 1.00000
Ru2 Ru 0.12551 0.62355 0.12544 1.00000
Ru3 Ru 0.62321 0.12829 0.62528 1.00000
Ru4 Ru 0.37679 0.87171 0.37472 1.00000
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