PrNd2Sc3
Alexandria ALEXAlex-ID: agm017686331 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_898_spg74
PrNd2 Sc
2025-04-14 07:29:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017686331).
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
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# CIF generated by HEAS from Alexandria entry agm017686331
data_agm017686331
_cell_length_a 9.25010
_cell_length_b 9.25010
_cell_length_c 9.16927
_cell_angle_alpha 60.27735
_cell_angle_beta 119.72265
_cell_angle_gamma 148.14491
_cell_volume 354.78885
_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 0.16611 0.83389 0.91611 1.00000
Pr2 Pr 0.83389 0.16611 0.08389 1.00000
Nd1 Nd 0.83319 0.16681 0.58320 1.00000
Nd2 Nd 0.50067 0.49933 0.25067 1.00000
Nd3 Nd 0.16681 0.83319 0.41680 1.00000
Nd4 Nd 0.49933 0.50067 0.74933 1.00000
Sc1 Sc 0.33345 0.66655 0.83285 1.00000
Sc2 Sc 0.66656 0.33344 0.66596 1.00000
Sc3 Sc 0.00000 0.00000 0.50000 1.00000
Sc4 Sc 0.66655 0.33345 0.16715 1.00000
Sc5 Sc 0.00000 0.00000 0.00000 1.00000
Sc6 Sc 0.33344 0.66656 0.33404 1.00000
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