Fe11Pt13
Alexandria ALEXAlex-ID: agm034153113 · Space group: P-1 (#2)
Basic Information
Formula
Fe11Pt13
Alex-ID
agm034153113
Elements
2
Sites
48
Space group
P-1 (#2)
Crystal system
triclinic
Volume
682.38
ų
Cell a
7.1923
Å
Cell b
7.1936
Å
Cell c
14.2178
Å
α angle
90.30
°
β angle
102.98
°
γ angle
107.29
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Fe11Pt13
Fe
22.00 · 45.8%
Pt
26.00 · 54.2%
Energy & Stability
Energy above hull
0.0000
eV/atom
Formation energy
-0.2153
eV/atom
Corrected total energy
-354.8035
eV
Raw total energy
-354.8035
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0091
eV
DOS at Fermi level
31.8975
Total magnetisation
74.8041
μB
Additional Information
Prototype ID
A11B13_8_spg2
Decomposition
Fe11Pt13
Computed at
2025-03-01 03:14:27
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034153113).
Reference
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
BibTeX
@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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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm034153113
data_agm034153113
_cell_length_a 7.19228
_cell_length_b 7.19355
_cell_length_c 14.21784
_cell_angle_alpha 90.29709
_cell_angle_beta 102.97665
_cell_angle_gamma 107.28928
_cell_volume 682.38067
_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 0.50000 0.50000 0.00000 1.00000
Fe2 Fe 0.00000 0.50000 0.50000 1.00000
Fe3 Fe 0.25143 0.99909 0.75031 1.00000
Fe4 Fe 0.74857 0.00091 0.24969 1.00000
Fe5 Fe 0.91567 0.33409 0.74984 1.00000
Fe6 Fe 0.08433 0.66591 0.25016 1.00000
Fe7 Fe 0.66852 0.83447 0.50107 1.00000
Fe8 Fe 0.16621 0.83345 0.99991 1.00000
Fe9 Fe 0.33148 0.16553 0.49893 1.00000
Fe10 Fe 0.83379 0.16655 0.00009 1.00000
Fe11 Fe 0.45803 0.91747 0.62486 1.00000
Fe12 Fe 0.70875 0.41570 0.87495 1.00000
Fe13 Fe 0.54197 0.08253 0.37514 1.00000
Fe14 Fe 0.29125 0.58430 0.12505 1.00000
Fe15 Fe 0.12118 0.24717 0.62387 1.00000
Fe16 Fe 0.37411 0.75034 0.87489 1.00000
Fe17 Fe 0.87882 0.75283 0.37613 1.00000
Fe18 Fe 0.62589 0.24966 0.12511 1.00000
Fe19 Fe 0.79255 0.58345 0.62417 1.00000
Fe20 Fe 0.04540 0.08617 0.87685 1.00000
Fe21 Fe 0.20745 0.41655 0.37583 1.00000
Fe22 Fe 0.95460 0.91383 0.12315 1.00000
Pt1 Pt 0.58304 0.66645 0.74982 1.00000
Pt2 Pt 0.41696 0.33355 0.25018 1.00000
Pt3 Pt 0.18054 0.62067 0.68562 1.00000
Pt4 Pt 0.30637 0.36915 0.81181 1.00000
Pt5 Pt 0.81946 0.37933 0.31438 1.00000
Pt6 Pt 0.69363 0.63085 0.18819 1.00000
Pt7 Pt 0.86041 0.96399 0.68840 1.00000
Pt8 Pt 0.98591 0.71257 0.81433 1.00000
Pt9 Pt 0.13959 0.03601 0.31160 1.00000
Pt10 Pt 0.01409 0.28743 0.18567 1.00000
Pt11 Pt 0.51550 0.28514 0.68541 1.00000
Pt12 Pt 0.65099 0.04790 0.81433 1.00000
Pt13 Pt 0.48450 0.71486 0.31459 1.00000
Pt14 Pt 0.34901 0.95210 0.18567 1.00000
Pt15 Pt 0.22491 0.20455 0.06055 1.00000
Pt16 Pt 0.61018 0.46320 0.44004 1.00000
Pt17 Pt 0.77509 0.79545 0.93945 1.00000
Pt18 Pt 0.38982 0.53680 0.55996 1.00000
Pt19 Pt 0.56104 0.87429 0.06196 1.00000
Pt20 Pt 0.93683 0.12465 0.43764 1.00000
Pt21 Pt 0.43896 0.12571 0.93804 1.00000
Pt22 Pt 0.06317 0.87535 0.56236 1.00000
Pt23 Pt 0.10489 0.45931 0.93803 1.00000
Pt24 Pt 0.72815 0.20733 0.56203 1.00000
Pt25 Pt 0.89511 0.54069 0.06197 1.00000
Pt26 Pt 0.27185 0.79267 0.43797 1.00000
