Pr3NdZn3
Alexandria ALEXAlex-ID: agm003545238 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_294_spg65
PrNdZn2 Pr2Zn
2022-04-04 12:49:30.735050
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545238).
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 agm003545238
data_agm003545238
_cell_length_a 7.37657
_cell_length_b 7.37656
_cell_length_c 7.28615
_cell_angle_alpha 90.00170
_cell_angle_beta 90.00171
_cell_angle_gamma 89.65914
_cell_volume 396.45943
_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 0.75080 0.75080 0.49991 1.00000
Pr2 Pr 0.25080 0.74920 0.50000 1.00000
Pr3 Pr 0.74920 0.25080 0.50000 1.00000
Pr4 Pr 0.25202 0.74798 0.00000 1.00000
Pr5 Pr 0.74798 0.25202 1.00000 1.00000
Pr6 Pr 0.24920 0.24920 0.50009 1.00000
Nd1 Nd 0.75218 0.75218 0.99996 1.00000
Nd2 Nd 0.24782 0.24782 0.00004 1.00000
Zn1 Zn 0.00004 0.00004 0.24838 1.00000
Zn2 Zn 0.99997 0.50005 0.75159 1.00000
Zn3 Zn 0.50005 0.99997 0.75159 1.00000
Zn4 Zn 0.00003 0.49995 0.24841 1.00000
Zn5 Zn 0.49995 0.00003 0.24841 1.00000
Zn6 Zn 0.99996 0.99996 0.75162 1.00000
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