Pm2NdDy5Sc
Alexandria ALEXAlex-ID: agm005146829 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
PmNdDy4 Pm3NdDy4 Sc PmDy8
2023-01-19 13:54:02.298413
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146829).
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 agm005146829
data_agm005146829
_cell_length_a 5.60261
_cell_length_b 10.27828
_cell_length_c 10.45863
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.81584
_cell_volume 579.46214
_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 0.88766 0.77533 0.81469 1.00000
Pm2 Pm 0.11457 0.22913 0.73375 1.00000
Pm3 Pm 0.11234 0.22467 0.31469 1.00000
Pm4 Pm 0.88543 0.77087 0.23375 1.00000
Nd1 Nd 0.58719 0.17437 0.95699 1.00000
Nd2 Nd 0.41281 0.82563 0.45699 1.00000
Dy1 Dy 0.37442 0.74883 0.01880 1.00000
Dy2 Dy 0.72340 0.44679 0.82276 1.00000
Dy3 Dy 0.48200 0.96399 0.73951 1.00000
Dy4 Dy 0.29692 0.59385 0.70397 1.00000
Dy5 Dy 0.98233 0.96465 0.51912 1.00000
Dy6 Dy 0.62558 0.25117 0.51880 1.00000
Dy7 Dy 0.27660 0.55321 0.32276 1.00000
Dy8 Dy 0.51800 0.03601 0.23951 1.00000
Dy9 Dy 0.70308 0.40615 0.20397 1.00000
Dy10 Dy 0.01767 0.03535 0.01912 1.00000
Sc1 Sc 0.80359 0.60718 0.51437 1.00000
Sc2 Sc 0.19641 0.39282 0.01437 1.00000
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