Pr2Nd3Zn7
Alexandria ALEXAlex-ID: agm101400459 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
PrZn2 PrNdZn2 NdZn2
2025-05-17 17:53:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101400459).
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 agm101400459
data_agm101400459
_cell_length_a 9.90272
_cell_length_b 9.90272
_cell_length_c 9.90272
_cell_angle_alpha 34.64445
_cell_angle_beta 34.64445
_cell_angle_gamma 34.64445
_cell_volume 280.04488
_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 0.66585 0.66585 0.66585 1.00000
Pr2 Pr 0.33415 0.33415 0.33415 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.86566 0.86566 0.86566 1.00000
Nd3 Nd 0.13434 0.13434 0.13434 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.39930 0.39930 0.91719 1.00000
Zn3 Zn 0.91719 0.39930 0.39930 1.00000
Zn4 Zn 0.39930 0.91719 0.39930 1.00000
Zn5 Zn 0.60070 0.60070 0.08281 1.00000
Zn6 Zn 0.60070 0.08281 0.60070 1.00000
Zn7 Zn 0.08281 0.60070 0.60070 1.00000
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