Pm2Nd5Dy4
Alexandria ALEXAlex-ID: agm005648393 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_643_spg12
PmNd3Dy4 Pm3NdDy4 Nd
2023-06-22 06:50:43.562678
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648393).
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 agm005648393
data_agm005648393
_cell_length_a 3.56543
_cell_length_b 11.74001
_cell_length_c 9.11398
_cell_angle_alpha 93.92350
_cell_angle_beta 101.27988
_cell_angle_gamma 89.99998
_cell_volume 373.21327
_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 0.71625 0.35224 0.43250 1.00000
Pm2 Pm 0.28375 0.64776 0.56750 1.00000
Nd1 Nd 0.90426 0.46419 0.80853 1.00000
Nd2 Nd 0.09574 0.53581 0.19147 1.00000
Nd3 Nd 0.82380 0.93000 0.64760 1.00000
Nd4 Nd 0.50000 0.00000 0.00000 1.00000
Nd5 Nd 0.17620 0.07000 0.35240 1.00000
Dy1 Dy 0.35993 0.20267 0.71987 1.00000
Dy2 Dy 0.96687 0.74091 0.93373 1.00000
Dy3 Dy 0.64007 0.79733 0.28013 1.00000
Dy4 Dy 0.03313 0.25909 0.06627 1.00000
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