La(SnRu)2
Alexandria ALEXAlex-ID: agm002236091 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_8_spg129
LaSnRu LaSn3Ru Ru
2018-07-14 01:41:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002236091).
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 agm002236091
data_agm002236091
_cell_length_a 4.63707
_cell_length_b 4.63777
_cell_length_c 10.42919
_cell_angle_alpha 89.77679
_cell_angle_beta 90.00816
_cell_angle_gamma 89.99656
_cell_volume 224.28467
_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
Ru1 Ru 0.75470 0.25014 0.99998 1.00000
Ru2 Ru 0.25358 0.25355 0.37397 1.00000
Ru3 Ru 0.75356 0.74650 0.62603 1.00000
Ru4 Ru 0.25471 0.74984 0.00003 1.00000
Sn1 Sn 0.25362 0.75203 0.49997 1.00000
Sn2 Sn 0.75472 0.75125 0.87680 1.00000
Sn3 Sn 0.75365 0.24800 0.50004 1.00000
Sn4 Sn 0.25473 0.24873 0.12319 1.00000
La1 La 0.25496 0.25206 0.77125 1.00000
La2 La 0.75496 0.74790 0.22875 1.00000
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