Pr3NdHo2
Alexandria ALEXAlex-ID: agm005589554 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2331_spg70
PrNd3Ho4 Pr(NdHo3)2 Pr
2023-08-24 10:12:43.677525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005589554).
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 agm005589554
data_agm005589554
_cell_length_a 7.28669
_cell_length_b 6.31414
_cell_length_c 12.09116
_cell_angle_alpha 110.36911
_cell_angle_beta 89.99945
_cell_angle_gamma 125.24103
_cell_volume 411.02736
_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 0.37493 1.00000 0.75000 1.00000
Pr2 Pr 0.62507 0.00000 0.25000 1.00000
Pr3 Pr 0.95816 0.66638 0.91610 1.00000
Pr4 Pr 0.29177 0.33363 0.58390 1.00000
Pr5 Pr 0.70823 0.66637 0.41610 1.00000
Pr6 Pr 0.04184 0.33362 0.08390 1.00000
Nd1 Nd 0.12514 1.00000 0.25000 1.00000
Nd2 Nd 0.87486 0.00000 0.75000 1.00000
Ho1 Ho 0.20924 0.66800 0.41808 1.00000
Ho2 Ho 0.45877 0.66801 0.91809 1.00000
Ho3 Ho 0.54123 0.33199 0.08191 1.00000
Ho4 Ho 0.79076 0.33200 0.58192 1.00000
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