Pa2Zn3Pt
Alexandria ALEXAlex-ID: agm003427841 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_869_spg69
PaZn2 PaZnPt
2022-02-15 21:01:38.053771
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003427841).
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 agm003427841
data_agm003427841
_cell_length_a 5.57019
_cell_length_b 5.57019
_cell_length_c 9.15035
_cell_angle_alpha 114.17239
_cell_angle_beta 114.17239
_cell_angle_gamma 69.79705
_cell_volume 230.85640
_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
Pa1 Pa 0.75000 0.25000 0.50000 1.00000
Pa2 Pa 0.72676 0.27324 0.00000 1.00000
Pa3 Pa 0.25000 0.75000 0.50000 1.00000
Pa4 Pa 0.27324 0.72676 0.00000 1.00000
Zn1 Zn 0.83964 0.83964 0.16437 1.00000
Zn2 Zn 0.67527 0.67527 0.83563 1.00000
Zn3 Zn 0.16036 0.16036 0.83563 1.00000
Zn4 Zn 0.32473 0.32473 0.16437 1.00000
Zn5 Zn 0.16360 0.16360 0.32720 1.00000
Zn6 Zn 0.83640 0.83640 0.67280 1.00000
Pt1 Pt 0.66741 0.66741 0.33482 1.00000
Pt2 Pt 0.33259 0.33259 0.66518 1.00000
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