Pm2Sm3Y4
Alexandria ALEXAlex-ID: agm005587366 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_606_spg12
Pm2SmY6 Pm3SmY4 Sm2Y
2023-06-29 07:46:08.247908
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005587366).
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 agm005587366
data_agm005587366
_cell_length_a 4.74178
_cell_length_b 6.21283
_cell_length_c 12.52510
_cell_angle_alpha 67.89146
_cell_angle_beta 79.08837
_cell_angle_gamma 67.56630
_cell_volume 315.53662
_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 0.84622 0.72777 0.57981 1.00000
Pm2 Pm 0.15378 0.27223 0.42019 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.57542 0.63694 0.21219 1.00000
Sm3 Sm 0.42458 0.36306 0.78781 1.00000
Y1 Y 0.86230 0.99024 0.28515 1.00000
Y2 Y 0.13770 0.00976 0.71485 1.00000
Y3 Y 0.71582 0.66677 0.90157 1.00000
Y4 Y 0.28418 0.33323 0.09843 1.00000
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