Fe4Cu4Pt3
Alexandria ALEXAlex-ID: agm009407791 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_15_spg47
Fe4CuPt5 Fe Cu
2024-07-19 07:13:49.852780
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009407791).
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
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# CIF generated by HEAS from Alexandria entry agm009407791
data_agm009407791
_cell_length_a 14.78281
_cell_length_b 14.78281
_cell_length_c 14.78281
_cell_angle_alpha 169.47440
_cell_angle_beta 165.79192
_cell_angle_gamma 17.71457
_cell_volume 144.83518
_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
Fe1 Fe 0.90863 0.40863 0.50000 1.00000
Fe2 Fe 0.72825 0.22825 0.50000 1.00000
Fe3 Fe 0.27175 0.77175 0.50000 1.00000
Fe4 Fe 0.09137 0.59137 0.50000 1.00000
Cu1 Cu 0.45397 0.95397 0.50000 1.00000
Cu2 Cu 0.54603 0.04603 0.50000 1.00000
Cu3 Cu 0.18465 0.68465 0.50000 1.00000
Cu4 Cu 0.81535 0.31535 0.50000 1.00000
Pt1 Pt 0.36297 0.86297 0.50000 1.00000
Pt2 Pt 0.63703 0.13703 0.50000 1.00000
Pt3 Pt 0.00000 0.50000 0.50000 1.00000
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