Pm3SmDy6
Alexandria ALEXAlex-ID: agm003569766 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_279_spg36
Pm3Dy5 SmDy5 Pm3SmDy4
2022-04-01 02:10:20.772605
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003569766).
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 agm003569766
data_agm003569766
_cell_length_a 6.32528
_cell_length_b 10.96318
_cell_length_c 10.96318
_cell_angle_alpha 119.74238
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 660.09247
_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 0.46157 0.93758 0.71206 1.00000
Pm2 Pm 0.96157 0.71206 0.93758 1.00000
Pm3 Pm 0.07041 0.38834 0.61166 1.00000
Pm4 Pm 0.57041 0.61166 0.38834 1.00000
Pm5 Pm 0.96157 0.06242 0.28794 1.00000
Pm6 Pm 0.46157 0.28794 0.06242 1.00000
Sm1 Sm 0.13272 0.19742 0.80258 1.00000
Sm2 Sm 0.63272 0.80258 0.19742 1.00000
Dy1 Dy 0.04448 0.71163 0.62074 1.00000
Dy2 Dy 0.54448 0.62074 0.71163 1.00000
Dy3 Dy 0.37155 0.53184 0.95112 1.00000
Dy4 Dy 0.87155 0.95112 0.53184 1.00000
Dy5 Dy 0.37948 0.95934 0.04066 1.00000
Dy6 Dy 0.64754 0.27459 0.72541 1.00000
Dy7 Dy 0.14754 0.72541 0.27459 1.00000
Dy8 Dy 0.87948 0.04066 0.95934 1.00000
Dy9 Dy 0.37155 0.04888 0.46816 1.00000
Dy10 Dy 0.87155 0.46816 0.04888 1.00000
Dy11 Dy 0.04448 0.37926 0.28837 1.00000
Dy12 Dy 0.54448 0.28837 0.37926 1.00000
