Pr2GePPt6
Alexandria ALEXAlex-ID: agm017642702 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_17_spg2
PrGePt3 PrPPt3
2024-12-11 22:11:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017642702).
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 agm017642702
data_agm017642702
_cell_length_a 6.92814
_cell_length_b 6.92814
_cell_length_c 6.92814
_cell_angle_alpha 130.19153
_cell_angle_beta 130.19153
_cell_angle_gamma 73.10076
_cell_volume 189.48810
_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 0.79032 0.29032 0.50000 1.00000
Pr2 Pr 0.29032 0.79032 0.50000 1.00000
Ge1 Ge 0.42361 0.42361 1.00000 1.00000
P1 P 0.91875 0.91875 0.00000 1.00000
Pt1 Pt 0.28337 0.79440 0.00000 1.00000
Pt2 Pt 0.21089 0.21089 0.00000 1.00000
Pt3 Pt 0.79440 0.28337 0.00000 1.00000
Pt4 Pt 0.79440 0.79440 0.51103 1.00000
Pt5 Pt 0.71129 0.71129 0.00000 1.00000
Pt6 Pt 0.28337 0.28337 0.48897 1.00000
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