Pm3Nd6Dy
Alexandria ALEXAlex-ID: agm005956074 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_1302_spg12
Pm3NdDy4 Pm2Nd Nd
2023-09-18 14:39:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005956074).
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 agm005956074
data_agm005956074
_cell_length_a 7.10166
_cell_length_b 12.99558
_cell_length_c 6.76850
_cell_angle_alpha 129.12661
_cell_angle_beta 121.64206
_cell_angle_gamma 90.00001
_cell_volume 356.97742
_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 0.80392 0.34173 0.60783 1.00000
Pm2 Pm 0.19608 0.65827 0.39217 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.28282 0.31130 0.11057 1.00000
Nd2 Nd 0.17225 0.68870 0.88943 1.00000
Nd3 Nd 0.71718 0.68870 0.88943 1.00000
Nd4 Nd 0.82775 0.31130 0.11057 1.00000
Nd5 Nd 0.33320 0.99299 0.66641 1.00000
Nd6 Nd 0.66680 0.00701 0.33359 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
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