LaSm4Dy2Mg
Alexandria ALEXAlex-ID: agm004863950 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_268_spg115
Sm3Dy5 La3Sm5 La5SmMg6 Sm
2022-07-17 03:29:29.985897
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004863950).
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 agm004863950
data_agm004863950
_cell_length_a 5.87657
_cell_length_b 9.53375
_cell_length_c 5.86848
_cell_angle_alpha 52.00789
_cell_angle_beta 89.99949
_cell_angle_gamma 89.99946
_cell_volume 259.11485
_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 0.50000 0.50000 1.00000 1.00000
Sm1 Sm 0.00000 0.74645 0.75323 1.00000
Sm2 Sm 1.00000 0.25355 0.24677 1.00000
Sm3 Sm 0.50000 0.74625 0.25381 1.00000
Sm4 Sm 0.50000 0.25376 0.74619 1.00000
Dy1 Dy 0.00000 0.00000 1.00000 1.00000
Dy2 Dy 0.50000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.49999 0.50000 1.00000
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