Ce3Al3PtAu2
Alexandria ALEXAlex-ID: agm040401458 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
CeAlAu CeAlPt
2025-01-13 08:39:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040401458).
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 agm040401458
data_agm040401458
_cell_length_a 7.36387
_cell_length_b 4.51275
_cell_length_c 23.42321
_cell_angle_alpha 90.00000
_cell_angle_beta 89.57346
_cell_angle_gamma 90.00000
_cell_volume 778.36256
_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
Ce1 Ce 0.52165 0.50000 0.06279 1.00000
Ce2 Ce 0.51572 0.50000 0.39489 1.00000
Ce3 Ce 0.51780 0.50000 0.72946 1.00000
Ce4 Ce 0.02161 0.50000 0.10593 1.00000
Ce5 Ce 0.00691 0.50000 0.43431 1.00000
Ce6 Ce 0.00948 0.50000 0.76875 1.00000
Ce7 Ce 0.48582 0.00000 0.26779 1.00000
Ce8 Ce 0.49626 0.00000 0.60194 1.00000
Ce9 Ce 0.49824 0.00000 0.93642 1.00000
Ce10 Ce 0.98540 0.00000 0.23195 1.00000
Ce11 Ce 0.98275 0.00000 0.56541 1.00000
Ce12 Ce 0.98552 0.00000 0.89921 1.00000
Al1 Al 0.66295 0.50000 0.19351 1.00000
Al2 Al 0.67402 0.50000 0.52729 1.00000
Al3 Al 0.67569 0.50000 0.86169 1.00000
Al4 Al 0.16195 0.50000 0.30545 1.00000
Al5 Al 0.16294 0.50000 0.64046 1.00000
Al6 Al 0.16351 0.50000 0.97547 1.00000
Al7 Al 0.33441 0.00000 0.14250 1.00000
Al8 Al 0.32662 0.00000 0.47286 1.00000
Al9 Al 0.32859 0.00000 0.80710 1.00000
Al10 Al 0.83830 0.00000 0.02574 1.00000
Al11 Al 0.82672 0.00000 0.35689 1.00000
Al12 Al 0.83092 0.00000 0.69150 1.00000
Pt1 Pt 0.78433 0.50000 0.30037 1.00000
Pt2 Pt 0.78873 0.50000 0.63493 1.00000
Pt3 Pt 0.79312 0.50000 0.96875 1.00000
Pt4 Pt 0.28829 0.50000 0.19933 1.00000
Au1 Au 0.29179 0.50000 0.53150 1.00000
Au2 Au 0.29393 0.50000 0.86611 1.00000
Au3 Au 0.21376 0.00000 0.03313 1.00000
Au4 Au 0.20420 0.00000 0.36469 1.00000
Au5 Au 0.20932 0.00000 0.69825 1.00000
Au6 Au 0.71017 0.00000 0.13446 1.00000
Au7 Au 0.70325 0.00000 0.46738 1.00000
Au8 Au 0.70534 0.00000 0.80178 1.00000
