La5SmMg6
Alexandria ALEXAlex-ID: agm006114001 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
La5SmMg6
2023-09-17 14:37:15.703487
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114001).
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 agm006114001
data_agm006114001
_cell_length_a 5.57336
_cell_length_b 7.90556
_cell_length_c 8.81290
_cell_angle_alpha 89.99858
_cell_angle_beta 71.56638
_cell_angle_gamma 89.99553
_cell_volume 368.37765
_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
Mg1 Mg 0.83538 0.75428 0.32925 1.00000
Mg2 Mg 0.83537 0.24572 0.32925 1.00000
Mg3 Mg 0.50001 0.24635 1.00000 1.00000
Mg4 Mg 0.49999 0.75365 0.00000 1.00000
Mg5 Mg 0.16463 0.75428 0.67075 1.00000
Mg6 Mg 0.16462 0.24572 0.67075 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
La1 La 0.66882 0.50000 0.66235 1.00000
La2 La 0.33407 1.00000 0.33186 1.00000
La3 La 0.00000 0.50000 0.00000 1.00000
La4 La 0.66593 0.00000 0.66814 1.00000
La5 La 0.33118 0.50000 0.33765 1.00000
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