Pr4BiPt2
Alexandria ALEXAlex-ID: agm003458027 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1137_spg122
Pr7Pt3 Pr5Bi3 PrPt
2022-03-01 03:12:29.203324
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458027).
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 agm003458027
data_agm003458027
_cell_length_a 8.27111
_cell_length_b 8.27106
_cell_length_c 8.01081
_cell_angle_alpha 108.31917
_cell_angle_beta 108.31900
_cell_angle_gamma 113.02529
_cell_volume 414.53036
_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 0.83771 0.24825 0.23645 1.00000
Pr2 Pr 0.28574 0.50371 0.13357 1.00000
Pr3 Pr 0.01178 0.60126 0.76355 1.00000
Pr4 Pr 0.75370 0.03568 0.63354 1.00000
Pr5 Pr 0.40218 0.12017 0.36648 1.00000
Pr6 Pr 0.37008 0.15212 0.86640 1.00000
Pr7 Pr 0.49824 0.58778 0.73652 1.00000
Pr8 Pr 0.85131 0.76178 0.26353 1.00000
Bi1 Bi 0.24778 0.74779 0.49998 1.00000
Bi2 Bi 0.99781 0.99779 0.00001 1.00000
Pt1 Pt 0.73179 0.38583 0.87082 1.00000
Pt2 Pt 0.51502 0.86101 0.12918 1.00000
Pt3 Pt 0.63590 0.48187 0.37092 1.00000
Pt4 Pt 0.11094 0.26497 0.62907 1.00000
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