Pr6In3Pt4RhPb
Alexandria ALEXAlex-ID: agm010655211 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4E6_5_spg187
Pr3In3Pt2Rh Pr4Pb3 Pr3Pb4 PrPt
2024-07-13 07:15:34.545112
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010655211).
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 agm010655211
data_agm010655211
_cell_length_a 10.00557
_cell_length_b 10.00557
_cell_length_c 4.53399
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 393.09259
_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 0.68770 0.84385 0.50000 1.00000
Pr2 Pr 0.15615 0.84385 0.50000 1.00000
Pr3 Pr 0.15615 0.31230 0.50000 1.00000
Pr4 Pr 0.41818 0.20909 0.00000 1.00000
Pr5 Pr 0.79091 0.20909 0.00000 1.00000
Pr6 Pr 0.79091 0.58182 0.00000 1.00000
In1 In 0.12997 0.56499 0.00000 1.00000
In2 In 0.43501 0.56499 0.00000 1.00000
In3 In 0.43501 0.87003 0.00000 1.00000
Pt1 Pt 0.33333 0.66667 0.50000 1.00000
Pt2 Pt 0.96285 0.48143 0.50000 1.00000
Pt3 Pt 0.51857 0.48143 0.50000 1.00000
Pt4 Pt 0.51857 0.03715 0.50000 1.00000
Rh1 Rh 0.66667 0.33333 0.50000 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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