Pr2Nd5Er4
Alexandria ALEXAlex-ID: agm005647526 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_541_spg12
PrNd2 Pr(NdEr3)2 Nd
2023-06-22 10:49:18.866236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647526).
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 agm005647526
data_agm005647526
_cell_length_a 3.62357
_cell_length_b 8.88071
_cell_length_c 12.02971
_cell_angle_alpha 104.27752
_cell_angle_beta 98.66222
_cell_angle_gamma 90.00000
_cell_volume 370.59881
_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
Pr1 Pr 0.58928 0.72173 0.17856 1.00000
Pr2 Pr 0.41072 0.27827 0.82144 1.00000
Nd1 Nd 0.13659 0.09484 0.27317 1.00000
Nd2 Nd 0.86341 0.90516 0.72683 1.00000
Nd3 Nd 0.22690 0.81155 0.45380 1.00000
Nd4 Nd 0.50000 0.00000 0.00000 1.00000
Nd5 Nd 0.77310 0.18845 0.54620 1.00000
Er1 Er 0.68191 0.45398 0.36382 1.00000
Er2 Er 0.04695 0.36457 0.09390 1.00000
Er3 Er 0.31809 0.54602 0.63618 1.00000
Er4 Er 0.95305 0.63543 0.90610 1.00000
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