Pm2Sm5DySc
Alexandria ALEXAlex-ID: agm005162228 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_252_spg36
PmSm3Dy4 Pm3Sm2Dy Sc Sm
2023-01-25 22:50:05.290943
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005162228).
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 agm005162228
data_agm005162228
_cell_length_a 5.38629
_cell_length_b 11.30863
_cell_length_c 10.15188
_cell_angle_alpha 89.99972
_cell_angle_beta 90.00000
_cell_angle_gamma 103.77735
_cell_volume 600.57597
_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 0.88375 0.76750 0.76055 1.00000
Pm2 Pm 0.11641 0.23282 0.75573 1.00000
Pm3 Pm 0.11625 0.23250 0.26054 1.00000
Pm4 Pm 0.88359 0.76718 0.25573 1.00000
Sm1 Sm 0.37293 0.74586 0.00818 1.00000
Sm2 Sm 0.72202 0.44403 0.82057 1.00000
Sm3 Sm 0.50005 0.00010 0.75811 1.00000
Sm4 Sm 0.27816 0.55632 0.69615 1.00000
Sm5 Sm 0.00092 0.00184 0.50816 1.00000
Sm6 Sm 0.62707 0.25414 0.50818 1.00000
Sm7 Sm 0.27799 0.55597 0.32057 1.00000
Sm8 Sm 0.49995 0.99990 0.25811 1.00000
Sm9 Sm 0.72184 0.44369 0.19614 1.00000
Sm10 Sm 0.99907 0.99815 0.00815 1.00000
Dy1 Dy 0.60196 0.20393 0.00817 1.00000
Dy2 Dy 0.39804 0.79607 0.50818 1.00000
Sc1 Sc 0.78640 0.57280 0.50837 1.00000
Sc2 Sc 0.21360 0.42721 0.00836 1.00000
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