CePr4Nd3
Alexandria ALEXAlex-ID: agm017262217 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_1214_spg10
PrNd2 Ce Pr
2025-07-01 20:16:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017262217).
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 agm017262217
data_agm017262217
_cell_length_a 12.45888
_cell_length_b 12.45888
_cell_length_c 6.43800
_cell_angle_alpha 75.00442
_cell_angle_beta 104.99558
_cell_angle_gamma 162.93951
_cell_volume 282.97149
_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
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.87616 0.12384 0.04425 1.00000
Pr2 Pr 0.12384 0.87616 0.95575 1.00000
Pr3 Pr 0.74985 0.25015 0.24937 1.00000
Pr4 Pr 0.25015 0.74985 0.75063 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.62318 0.37682 0.45800 1.00000
Nd3 Nd 0.37682 0.62318 0.54200 1.00000
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