Pr2Nd8Ho3
Alexandria ALEXAlex-ID: agm005609287 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_185_spg12
PrNd2 PrNd3Ho4 Nd
2023-06-16 06:05:36.720079
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609287).
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 agm005609287
data_agm005609287
_cell_length_a 6.17814
_cell_length_b 11.86602
_cell_length_c 8.98695
_cell_angle_alpha 131.31368
_cell_angle_beta 72.24683
_cell_angle_gamma 90.00000
_cell_volume 452.24300
_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 0.65690 0.68996 0.37991 1.00000
Pr2 Pr 0.34310 0.31004 0.62009 1.00000
Nd1 Nd 0.76437 0.41537 0.83073 1.00000
Nd2 Nd 0.23563 0.58463 0.16927 1.00000
Nd3 Nd 0.10203 0.86190 0.72380 1.00000
Nd4 Nd 0.89797 0.13810 0.27620 1.00000
Nd5 Nd 0.34112 0.92355 0.32544 1.00000
Nd6 Nd 0.34112 0.40190 0.32544 1.00000
Nd7 Nd 0.65888 0.59810 0.67456 1.00000
Nd8 Nd 0.65888 0.07645 0.67456 1.00000
Ho1 Ho 0.50000 0.00000 0.00000 1.00000
Ho2 Ho 0.00000 0.26369 1.00000 1.00000
Ho3 Ho 1.00000 0.73631 0.00000 1.00000
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