LaSm2(DyAs2)3
Alexandria ALEXAlex-ID: agm033759144 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_598_spg1
SmAs LaAs DyAs
2025-02-06 21:12:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033759144).
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 agm033759144
data_agm033759144
_cell_length_a 9.37710
_cell_length_b 9.37710
_cell_length_c 8.38900
_cell_angle_alpha 77.11032
_cell_angle_beta 102.88968
_cell_angle_gamma 154.14283
_cell_volume 313.16878
_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 0.50000 1.00000
Sm1 Sm 0.83242 0.16758 0.16535 1.00000
Sm2 Sm 0.16758 0.83242 0.83465 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Dy2 Dy 0.83343 0.16657 0.66774 1.00000
Dy3 Dy 0.16657 0.83343 0.33226 1.00000
As1 As 0.32993 0.67007 0.41883 1.00000
As2 As 0.66539 0.33461 0.08637 1.00000
As3 As 0.67007 0.32993 0.58117 1.00000
As4 As 0.99902 0.00098 0.75882 1.00000
As5 As 0.00098 0.99902 0.24118 1.00000
As6 As 0.33461 0.66539 0.91363 1.00000
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