Pm3SmDy4
Alexandria ALEXAlex-ID: agm017019316 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_66_spg6
Pm3SmDy4
2025-01-06 20:13:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017019316).
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 agm017019316
data_agm017019316
_cell_length_a 12.13547
_cell_length_b 12.13547
_cell_length_c 6.23889
_cell_angle_alpha 75.10822
_cell_angle_beta 104.89178
_cell_angle_gamma 162.87408
_cell_volume 261.26432
_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
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
Pm2 Pm 0.25012 0.74988 0.75008 1.00000
Pm3 Pm 0.74988 0.25012 0.24992 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Dy1 Dy 0.62496 0.37504 0.78838 1.00000
Dy2 Dy 0.37504 0.62496 0.21162 1.00000
Dy3 Dy 0.87518 0.12482 0.71198 1.00000
Dy4 Dy 0.12482 0.87518 0.28802 1.00000
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