PrNdPt
Alexandria ALEXAlex-ID: agm005646381 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
Nd5Pt3 Pr7Pt3 Nd7Pt3
2023-06-18 06:48:43.591121
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646381).
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 agm005646381
data_agm005646381
_cell_length_a 7.72155
_cell_length_b 7.72155
_cell_length_c 9.73362
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 502.59048
_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 0.00000 0.26349 0.00000 1.00000
Pr2 Pr 0.73651 0.73651 0.00000 1.00000
Pr3 Pr 0.26349 0.00000 0.00000 1.00000
Pr4 Pr 0.00000 0.26349 0.50000 1.00000
Pr5 Pr 0.73651 0.73651 0.50000 1.00000
Pr6 Pr 0.26349 0.00000 0.50000 1.00000
Nd1 Nd 0.99917 0.59393 0.25000 1.00000
Nd2 Nd 0.40607 0.40524 0.25000 1.00000
Nd3 Nd 0.59476 0.00083 0.25000 1.00000
Nd4 Nd 0.40524 0.40607 0.75000 1.00000
Nd5 Nd 0.00083 0.59476 0.75000 1.00000
Nd6 Nd 0.59393 0.99917 0.75000 1.00000
Pt1 Pt 0.00000 0.00000 0.25000 1.00000
Pt2 Pt 0.00000 0.00000 0.75000 1.00000
Pt3 Pt 0.66667 0.33333 0.00227 1.00000
Pt4 Pt 0.66667 0.33333 0.49773 1.00000
Pt5 Pt 0.33333 0.66667 0.99773 1.00000
Pt6 Pt 0.33333 0.66667 0.50227 1.00000
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