Ba2Zn5Pt4
Alexandria ALEXAlex-ID: agm005652591 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_188_spg69
BaZnPt BaZn3Pt2 BaZn2Pt3
2023-06-22 20:22:38.526026
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652591).
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 agm005652591
data_agm005652591
_cell_length_a 5.85439
_cell_length_b 6.04181
_cell_length_c 8.17452
_cell_angle_alpha 80.00919
_cell_angle_beta 69.01718
_cell_angle_gamma 61.02091
_cell_volume 236.16719
_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
Ba1 Ba 0.85039 1.00000 0.29923 1.00000
Ba2 Ba 0.14961 0.00000 0.70077 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
Zn2 Zn 0.00000 0.50000 0.00000 1.00000
Zn3 Zn 0.50000 0.50000 0.00000 1.00000
Zn4 Zn 0.25000 0.50000 0.50000 1.00000
Zn5 Zn 0.75000 0.50000 0.50000 1.00000
Pt1 Pt 0.78249 0.68613 0.74888 1.00000
Pt2 Pt 0.21751 0.31387 0.25112 1.00000
Pt3 Pt 0.53138 0.68613 0.25112 1.00000
Pt4 Pt 0.46862 0.31387 0.74888 1.00000
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