Pr6Pt8I
Alexandria ALEXAlex-ID: agm071753619 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_84_spg148
Pr15Pt32 PrPt PrI3
2024-10-06 15:03:47.291969
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071753619).
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 agm071753619
data_agm071753619
_cell_length_a 6.80478
_cell_length_b 8.22581
_cell_length_c 8.34416
_cell_angle_alpha 119.54325
_cell_angle_beta 114.06939
_cell_angle_gamma 89.97274
_cell_volume 358.97879
_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 0.67254 0.95631 0.34504 1.00000
Pr2 Pr 0.67271 0.38873 0.34504 1.00000
Pr3 Pr 0.00017 0.73629 0.00000 1.00000
Pr4 Pr 0.32746 0.04369 0.65496 1.00000
Pr5 Pr 0.32729 0.61127 0.65496 1.00000
Pr6 Pr 0.99983 0.26371 1.00000 1.00000
Pt1 Pt 0.97762 0.67661 0.35319 1.00000
Pt2 Pt 0.02238 0.32339 0.64681 1.00000
Pt3 Pt 0.37610 0.67674 0.35351 1.00000
Pt4 Pt 0.70142 0.99983 0.99954 1.00000
Pt5 Pt 0.82930 0.82900 0.65799 1.00000
Pt6 Pt 0.62390 0.32326 0.64649 1.00000
Pt7 Pt 0.29858 0.00017 0.00046 1.00000
Pt8 Pt 0.17070 0.17100 0.34201 1.00000
I1 I 0.50000 0.50000 0.00000 1.00000
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