Pr4NdIn3
Alexandria ALEXAlex-ID: agm005972829 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_88_spg166
Pr4NdIn5 Pr2NdIn3 Pr5NdIn2
2023-09-26 08:01:23.670728
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005972829).
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 agm005972829
data_agm005972829
_cell_length_a 5.56764
_cell_length_b 5.56764
_cell_length_c 9.86221
_cell_angle_alpha 73.60419
_cell_angle_beta 73.60420
_cell_angle_gamma 60.00001
_cell_volume 250.29833
_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 0.86826 0.86826 0.39521 1.00000
Pr2 Pr 0.38492 0.38492 0.84523 1.00000
Pr3 Pr 0.13174 0.13174 0.60479 1.00000
Pr4 Pr 0.61508 0.61508 0.15477 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
In1 In 0.26007 0.26007 0.21978 1.00000
In2 In 0.73993 0.73993 0.78022 1.00000
In3 In 0.50000 0.50000 0.50000 1.00000
Get direct link