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Er3(FeGe)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1103481 · Space group: Immm (#71)

Basic Information

Formula
Er3(FeGe)4
MP-ID
mp-1103481
Elements
3
Sites
11
Density
8.9082
g/cm³
Volume
189.33
ų
Cell a
7.8212
Å
Cell b
7.8212
Å
Cell c
7.8212
Å
α Angle
149.01
°
β Angle
129.17
°
γ Angle
60.73
°
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
14.74 6.0104 1.5 (1,0,0)
22.27 3.9925 9.4 (0,1,0)
23.81 3.7372 10.9 (2,1,-1)
25.10 3.5481 1.2 (0,0,1)
26.56 3.3564 17.2 (1,-1,1)
28.42 3.1404 9.3 (1,1,0)
29.16 3.0621 1.2 (1,2,-1)
34.92 2.5692 89.6 (1,0,1)
35.86 2.5044 29.1 (3,2,-2)
36.76 2.4450 100.0 (2,2,-1)
37.81 2.3796 1.4 (3,1,-1)
39.75 2.2675 4.6 (2,3,-2)
39.85 2.2621 6.5 (2,1,0)
40.09 2.2494 11.2 (3,3,-3)
43.30 2.0898 35.4 (1,-1,-1)
45.26 2.0035 27.7 (3,0,0)
48.05 1.8935 4.6 (2,0,1)
48.45 1.8789 8.7 (3,2,-1)
49.17 1.8532 3.7 (4,3,-3)
50.00 1.8240 3.3 (1,2,0)
51.51 1.7740 5.9 (0,0,2)
53.17 1.7227 7.9 (4,1,-1)
53.83 1.7030 11.8 (3,1,0)
54.38 1.6871 3.9 (4,4,-4)
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Energy Properties

Formation Energy/atom
-0.49026
eV/atom
Energy/atom
-6.49711
eV/atom
Energy above Hull
0.0318
eV/atom
Uncorrected Energy
-6.4971
eV/atom
Volume/atom
17.21
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
7.9097
μB
Mag. Ordering
FiM
Mag. Sites
7
Magnetization/Volume
0.041780
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Fe · 0.364
Element Family
3d-TM
Solute Fraction
0.636
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0901
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.0628
J/mol·K
Ω Parameter
3.2086
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.863%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3124
smaller = more stable mixing
VEC
7.636
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
4.492
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9922
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.553
Family
Fe-rich Multi-Component
Matrix Element
Fe · 0.364

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1103481
Reference Citation

The crystal structure and related material properties of Er3(FeGe)4 were obtained from the Materials Project database (MP-ID: mp-1103481, 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_Er3(FeGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82122438
_cell_length_b   7.82122438
_cell_length_c   7.82122438
_cell_angle_alpha   149.00512843
_cell_angle_beta   129.17372226
_cell_angle_gamma   60.73253212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3(FeGe)4
_chemical_formula_sum   'Er3 Fe4 Ge4'
_cell_volume   189.33467533
_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
  Er  Er0  1  0.50000000  0.00000000  0.50000000  1.0
  Er  Er1  1  0.87115300  0.87115300  0.00000000  1.0
  Er  Er2  1  0.12884700  0.12884700  0.00000000  1.0
  Fe  Fe3  1  0.85537400  0.67452500  0.18084900  1.0
  Fe  Fe4  1  0.49367600  0.67452500  0.81915100  1.0
  Fe  Fe5  1  0.50632400  0.32547500  0.18084900  1.0
  Fe  Fe6  1  0.14462600  0.32547500  0.81915100  1.0
  Ge  Ge7  1  0.27923200  0.77923200  0.50000000  1.0
  Ge  Ge8  1  0.72076800  0.22076800  0.50000000  1.0
  Ge  Ge9  1  0.19572900  0.50000000  0.69572900  1.0
  Ge  Ge10  1  0.80427100  0.50000000  0.30427100  1.0
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