Pr9HPt6
Alexandria ALEXAlex-ID: agm073030593 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C9_40_spg148
Pr7Pt3 PrH2 PrPt
2024-10-29 02:37:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073030593).
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 agm073030593
data_agm073030593
_cell_length_a 7.76624
_cell_length_b 7.76624
_cell_length_c 7.76624
_cell_angle_alpha 71.26176
_cell_angle_beta 71.26176
_cell_angle_gamma 71.26176
_cell_volume 407.47070
_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 0.83386 0.60486 0.33737 1.00000
Pr2 Pr 0.16614 0.39514 0.66263 1.00000
Pr3 Pr 0.60486 0.33737 0.83386 1.00000
Pr4 Pr 0.39514 0.66263 0.16614 1.00000
Pr5 Pr 0.33737 0.83386 0.60486 1.00000
Pr6 Pr 0.66263 0.16614 0.39514 1.00000
Pr7 Pr 0.20034 0.20034 0.20034 1.00000
Pr8 Pr 0.79966 0.79966 0.79966 1.00000
Pr9 Pr 0.00000 0.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.16408 0.58863 0.95939 1.00000
Pt2 Pt 0.83592 0.41137 0.04061 1.00000
Pt3 Pt 0.58863 0.95939 0.16408 1.00000
Pt4 Pt 0.41137 0.04061 0.83592 1.00000
Pt5 Pt 0.95939 0.16408 0.58863 1.00000
Pt6 Pt 0.04061 0.83592 0.41137 1.00000
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