Pr4PtRh
Alexandria ALEXAlex-ID: agm003744166 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1485_spg70
Pr5Rh3 Pr7Pt3
2022-04-22 03:40:23.329164
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003744166).
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 agm003744166
data_agm003744166
_cell_length_a 7.12934
_cell_length_b 7.20690
_cell_length_c 8.60454
_cell_angle_alpha 111.46816
_cell_angle_beta 111.15568
_cell_angle_gamma 97.32236
_cell_volume 366.14532
_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 0.26598 0.95076 0.52803 1.00000
Pr2 Pr 0.04346 0.76593 0.02874 1.00000
Pr3 Pr 0.23795 0.42273 0.47197 1.00000
Pr4 Pr 0.51472 0.73719 0.97126 1.00000
Pr5 Pr 0.73402 0.04924 0.47197 1.00000
Pr6 Pr 0.76205 0.57727 0.52803 1.00000
Pr7 Pr 0.95654 0.23407 0.97126 1.00000
Pr8 Pr 0.48528 0.26281 0.02874 1.00000
Pt1 Pt 0.37734 0.62734 0.25469 1.00000
Pt2 Pt 0.62266 0.37266 0.74531 1.00000
Rh1 Rh 0.85929 0.10929 0.21858 1.00000
Rh2 Rh 0.14071 0.89071 0.78142 1.00000
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