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Be2FePt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1097456 · Space group: Immm (#71)

Basic Information

Formula
Be2FePt
MP-ID
mp-1097456
Elements
3
Sites
4
Density
0.8812
g/cm³
Volume
506.83
ų
Cell a
8.5141
Å
Cell b
9.0185
Å
Cell c
9.0185
Å
α Angle
61.04
°
β Angle
61.83
°
γ Angle
61.83
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.82 7.4873 100.0 (0,1,0)
12.43 7.1221 20.5 (1,1,1)
13.63 6.4989 36.6 (0,1,1)
14.20 6.2361 15.4 (1,1,0)
19.38 4.5799 16.3 (0,1,-1)
19.73 4.4996 14.9 (1,2,1)
20.87 4.2570 10.8 (2,1,1)
22.70 3.9166 22.3 (0,2,1)
23.03 3.8614 5.2 (1,2,2)
23.09 3.8522 10.3 (1,2,0)
23.77 3.7437 19.9 (0,2,0)
24.05 3.7007 30.8 (2,2,1)
25.01 3.5611 14.0 (2,2,2)
27.45 3.2494 6.9 (0,2,2)
28.63 3.1181 10.0 (2,2,0)
30.06 2.9723 10.9 (0,2,-1)
30.28 2.9521 5.3 (1,3,1)
31.03 2.8823 12.3 (2,3,2)
31.03 2.8823 4.1 (2,-1,0)
31.03 2.8817 5.0 (1,3,2)
31.12 2.8740 2.5 (1,2,-1)
31.83 2.8113 15.3 (2,3,1)
32.29 2.7727 2.2 (3,2,2)
33.04 2.7109 2.1 (3,2,1)
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Energy Properties

Formation Energy/atom
2.38039
eV/atom
Energy/atom
-3.12460
eV/atom
Energy above Hull
2.7270
eV/atom
Uncorrected Energy
-3.1246
eV/atom
Volume/atom
126.71
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
3.6729
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.007250
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.500
Element Family
Alkali-AlkEarth
Solute Fraction
0.500
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
0.4969
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.189%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2900
smaller = more stable mixing
VEC
5.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-30.319
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.269
Family
Be-rich Multi-Component
Matrix Element
Be · 0.500

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1097456
Reference Citation

The crystal structure and related material properties of Be2FePt were obtained from the Materials Project database (MP-ID: mp-1097456, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Be2FePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51407814
_cell_length_b   9.01848749
_cell_length_c   9.01848833
_cell_angle_alpha   61.03903861
_cell_angle_beta   61.83354600
_cell_angle_gamma   61.83354321
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FePt
_chemical_formula_sum   'Be2 Fe1 Pt1'
_cell_volume   506.82732755
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Be  Be0  1  0.74146200  0.00000000  0.00000000  1.0
  Be  Be1  1  0.25853800  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt3  1  0.50000000  0.00000000  0.00000000  1.0
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