Pm3Nd5Er2
Alexandria ALEXAlex-ID: agm005599451 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_183_spg15
Pm2NdEr6 Pm2Nd Nd
2023-06-25 03:06:27.849672
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005599451).
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 agm005599451
data_agm005599451
_cell_length_a 10.08636
_cell_length_b 10.08792
_cell_length_c 11.32487
_cell_angle_alpha 129.25647
_cell_angle_beta 129.25349
_cell_angle_gamma 65.11301
_cell_volume 690.52247
_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 0.22841 0.97841 0.95681 1.00000
Pm2 Pm 0.77159 0.02159 0.04319 1.00000
Pm3 Pm 0.72086 0.47302 0.25047 1.00000
Pm4 Pm 0.27914 0.52698 0.74953 1.00000
Pm5 Pm 0.02960 0.77745 0.25047 1.00000
Pm6 Pm 0.97040 0.22255 0.74953 1.00000
Nd1 Nd 0.27138 0.52138 0.04275 1.00000
Nd2 Nd 0.72862 0.47862 0.95725 1.00000
Nd3 Nd 0.02208 0.77208 0.54415 1.00000
Nd4 Nd 0.52029 0.27029 0.54057 1.00000
Nd5 Nd 0.97792 0.22792 0.45585 1.00000
Nd6 Nd 0.47971 0.72971 0.45943 1.00000
Nd7 Nd 0.87659 0.63116 0.75233 1.00000
Nd8 Nd 0.12341 0.36884 0.24767 1.00000
Nd9 Nd 0.37574 0.12117 0.75233 1.00000
Nd10 Nd 0.62426 0.87883 0.24767 1.00000
Er1 Er 0.77789 0.02988 0.75159 1.00000
Er2 Er 0.22211 0.97012 0.24841 1.00000
Er3 Er 0.47370 0.72171 0.75159 1.00000
Er4 Er 0.52630 0.27829 0.24841 1.00000
