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Er4Ga16Co3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-862806 · Space group: P4/mmm (#123)

Basic Information

Formula
Er4Ga16Co3
MP-ID
mp-862806
Elements
3
Sites
23
Density
8.4447
g/cm³
Volume
385.69
ų
Cell a
5.9431
Å
Cell b
5.9431
Å
Cell c
10.9195
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal P
Stability
Yes
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
8.10 10.9195 5.5 (0,0,1)
16.23 5.4598 6.1 (0,0,2)
21.14 4.2024 28.2 (1,1,0)
24.46 3.6398 2.4 (0,0,3)
26.77 3.3302 7.7 (1,1,2)
30.07 2.9716 2.7 (0,2,0)
30.07 2.9716 2.7 (2,0,0)
31.19 2.8673 10.3 (0,2,1)
31.19 2.8673 10.3 (2,0,1)
32.54 2.7513 17.4 (1,1,-3)
32.54 2.7513 17.4 (1,1,3)
34.36 2.6100 19.9 (0,2,-2)
34.36 2.6100 19.9 (0,2,2)
34.36 2.6100 39.7 (2,0,2)
39.13 2.3019 35.2 (0,2,-3)
39.13 2.3019 35.2 (0,2,3)
39.13 2.3019 70.4 (2,0,3)
41.34 2.1839 40.0 (0,0,5)
42.10 2.1465 1.0 (2,1,3)
43.05 2.1012 100.0 (2,2,0)
45.10 2.0103 6.1 (0,2,-4)
45.10 2.0103 6.1 (0,2,4)
45.10 2.0103 6.1 (2,0,4)
45.10 2.0103 6.1 (2,0,-4)
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Energy Properties

Formation Energy/atom
-0.49500
eV/atom
Energy/atom
-4.32633
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.1022
eV/atom
Volume/atom
16.77
ų
c/a Ratio
1.8373

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.696
Element Family
PostTransition-Noble
Solute Fraction
0.304
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8223
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.8370
J/mol·K
Ω Parameter
10.3545
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.450%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2215
smaller = more stable mixing
VEC
5.348
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.498
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7485
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.605
Family
Ga-rich Multi-Component
Matrix Element
Ga · 0.696

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-862806
Reference Citation

The crystal structure and related material properties of Er4Ga16Co3 were obtained from the Materials Project database (MP-ID: mp-862806, 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_Er4Ga16Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94311329
_cell_length_b   5.94313844
_cell_length_c   10.91953338
_cell_angle_alpha   90.00001698
_cell_angle_beta   89.99999367
_cell_angle_gamma   90.00000096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4Ga16Co3
_chemical_formula_sum   'Er4 Ga16 Co3'
_cell_volume   385.68605455
_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  -0.00000015  0.49999956  0.19480922  1.0
  Er  Er1  1  0.00000025  0.50000078  0.80519085  1.0
  Er  Er2  1  0.49999989  -0.00000021  0.80519000  1.0
  Er  Er3  1  0.49999994  -0.00000003  0.19481001  1.0
  Ga  Ga4  1  0.00000004  -0.00000009  0.21865599  1.0
  Ga  Ga5  1  -0.00000003  0.00000016  0.78134396  1.0
  Ga  Ga6  1  0.50000005  0.50000001  0.19544285  1.0
  Ga  Ga7  1  0.49999997  0.49999998  0.80455703  1.0
  Ga  Ga8  1  0.28106792  0.28106858  0.00000006  1.0
  Ga  Ga9  1  0.71893205  0.71893134  -0.00000019  1.0
  Ga  Ga10  1  0.28106799  0.71893128  -0.00000005  1.0
  Ga  Ga11  1  0.71893210  0.28106855  -0.00000010  1.0
  Ga  Ga12  1  0.24962464  0.24962629  0.38418580  1.0
  Ga  Ga13  1  0.75037539  0.75037375  0.38418583  1.0
  Ga  Ga14  1  0.24962467  0.75037373  0.61581426  1.0
  Ga  Ga15  1  0.75037533  0.24962628  0.61581424  1.0
  Ga  Ga16  1  0.75037532  0.75037383  0.61581428  1.0
  Ga  Ga17  1  0.24962466  0.24962634  0.61581423  1.0
  Ga  Ga18  1  0.24962459  0.75037377  0.38418582  1.0
  Ga  Ga19  1  0.75037535  0.24962624  0.38418579  1.0
  Co  Co20  1  -0.00000001  0.50000015  0.50000016  1.0
  Co  Co21  1  0.49999996  -0.00000003  0.50000004  1.0
  Co  Co22  1  0.00000008  -0.00000025  -0.00000008  1.0
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