AcCePt
Alexandria ALEXAlex-ID: agm005668083 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_432_spg14
Ac4Pt3 CePt Ce
2023-06-19 09:13:28.674934
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668083).
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 agm005668083
data_agm005668083
_cell_length_a 7.28957
_cell_length_b 7.08212
_cell_length_c 8.16368
_cell_angle_alpha 97.71534
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 417.63969
_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
Ac1 Ac 0.41390 0.23277 0.89743 1.00000
Ac2 Ac 0.58610 0.76723 0.10257 1.00000
Ac3 Ac 0.91390 0.26723 0.60257 1.00000
Ac4 Ac 0.08610 0.73277 0.39743 1.00000
Ce1 Ce 0.92157 0.24941 0.10183 1.00000
Ce2 Ce 0.57843 0.74941 0.60183 1.00000
Ce3 Ce 0.07843 0.75059 0.89817 1.00000
Ce4 Ce 0.42157 0.25059 0.39817 1.00000
Pt1 Pt 0.27094 0.50567 0.65781 1.00000
Pt2 Pt 0.72906 0.49433 0.34219 1.00000
Pt3 Pt 0.22906 0.00567 0.15781 1.00000
Pt4 Pt 0.77094 0.99433 0.84219 1.00000
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