Zr2Al13Pt6
Alexandria ALEXAlex-ID: agm007931374 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B6C13_3_spg12
Zr2Al16Pt7 Zr6Al16Pt7 Al3Pt2
2024-05-10 22:27:19.790765
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007931374).
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 agm007931374
data_agm007931374
_cell_length_a 7.97131
_cell_length_b 7.97131
_cell_length_c 12.28826
_cell_angle_alpha 61.59169
_cell_angle_beta 61.59169
_cell_angle_gamma 30.18490
_cell_volume 341.61997
_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
Zr1 Zr 0.16872 0.16872 0.23798 1.00000
Zr2 Zr 0.83128 0.83128 0.76202 1.00000
Al1 Al 0.20359 0.20359 0.95921 1.00000
Al2 Al 0.00008 0.00008 0.17056 1.00000
Al3 Al 0.29365 0.29365 0.38113 1.00000
Al4 Al 0.48861 0.48861 0.67113 1.00000
Al5 Al 0.64537 0.64537 0.42484 1.00000
Al6 Al 0.79641 0.79641 0.04079 1.00000
Al7 Al 0.59368 0.59368 0.89496 1.00000
Al8 Al 0.99992 0.99992 0.82944 1.00000
Al9 Al 0.00000 0.00000 0.50000 1.00000
Al10 Al 0.35463 0.35463 0.57516 1.00000
Al11 Al 0.70635 0.70635 0.61887 1.00000
Al12 Al 0.40632 0.40632 0.10504 1.00000
Al13 Al 0.51139 0.51139 0.32887 1.00000
Pt1 Pt 0.18293 0.18293 0.76436 1.00000
Pt2 Pt 0.81707 0.81707 0.23564 1.00000
Pt3 Pt 0.88495 0.88495 0.42152 1.00000
Pt4 Pt 0.60987 0.60987 0.09190 1.00000
Pt5 Pt 0.39013 0.39013 0.90810 1.00000
Pt6 Pt 0.11505 0.11505 0.57848 1.00000
