Er2Ga9Co2Pt
High-Entropy Materials HEAMP-ID: mp-3292831 · Space group: Cmcm (#63)
Basic Information
Formula
Er2Ga9Co2Pt
MP-ID
mp-3292831
Elements
4
Sites
28
Density
9.6701
g/cm³
Volume
437.87
ų
Cell a
7.3565
Å
Cell b
7.3565
Å
Cell c
9.3138
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.69
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.86 | 6.3908 | 24.1 | (1,0,-1,0) |
| 13.92 | 6.3609 | 2.0 | (1,-1,0,0) |
| 16.82 | 5.2696 | 3.9 | (1,0,-1,1) |
| 23.64 | 3.7637 | 4.5 | (1,0,-1,2) |
| 23.68 | 3.7575 | 9.7 | (1,-1,0,2) |
| 25.94 | 3.4350 | 6.4 | (1,1,-2,1) |
| 26.05 | 3.4211 | 11.8 | (2,-1,-1,1) |
| 27.92 | 3.1954 | 12.1 | (2,0,-2,0) |
| 28.06 | 3.1805 | 1.1 | (2,-2,0,0) |
| 29.55 | 3.0225 | 12.5 | (2,0,-2,1) |
| 30.89 | 2.8948 | 10.2 | (1,1,-2,2) |
| 30.98 | 2.8864 | 10.3 | (1,-2,1,2) |
| 30.98 | 2.8864 | 10.3 | (2,-1,-1,2) |
| 32.05 | 2.7925 | 1.2 | (1,0,-1,3) |
| 34.03 | 2.6348 | 1.0 | (0,2,-2,2) |
| 34.03 | 2.6348 | 1.0 | (2,0,-2,2) |
| 34.14 | 2.6264 | 30.2 | (2,-2,0,2) |
| 37.17 | 2.4187 | 1.6 | (1,2,-3,0) |
| 37.17 | 2.4187 | 1.6 | (2,1,-3,0) |
| 37.38 | 2.4058 | 13.6 | (3,-2,-1,0) |
| 37.85 | 2.3771 | 50.7 | (1,1,-2,3) |
| 37.92 | 2.3725 | 100.0 | (2,-1,-1,3) |
| 38.45 | 2.3411 | 1.4 | (2,1,-3,1) |
| 38.58 | 2.3337 | 13.7 | (1,-3,2,1) |
Energy Properties
Formation Energy/atom
-0.57266
eV/atom
Energy/atom
-18.34352
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.3435
eV/atom
Volume/atom
15.64
ų
c/a Ratio
1.2661
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
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 · 0.643
Element Family
PostTransition-Noble
Solute Fraction
0.357
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0285
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5511
J/mol·K
Ω Parameter
1.5530
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.702%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2479
smaller = more stable mixing
VEC
5.643
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.683
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7419
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292831
Reference Citation
The crystal structure and related material properties of Er2Ga9Co2Pt were obtained from the Materials Project database (MP-ID: mp-3292831, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Er2Ga9Co2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35647737
_cell_length_b 7.35647836
_cell_length_c 9.31381659
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.68926169
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Ga9Co2Pt
_chemical_formula_sum 'Er4 Ga18 Co4 Pt2'
_cell_volume 437.87438995
_cell_formula_units_Z 2
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 0.50215887 0.82108328 0.75000000 1.0
Er Er1 1 0.49784113 0.17891672 0.25000000 1.0
Er Er2 1 0.17891672 0.49784113 0.25000000 1.0
Er Er3 1 0.82108328 0.50215887 0.75000000 1.0
Ga Ga4 1 0.16561173 0.94023164 0.75000000 1.0
Ga Ga5 1 0.83438827 0.05976836 0.25000000 1.0
Ga Ga6 1 0.05976836 0.83438827 0.25000000 1.0
Ga Ga7 1 0.94023164 0.16561173 0.75000000 1.0
Ga Ga8 1 0.64764394 0.64764394 0.25000000 1.0
Ga Ga9 1 0.35235606 0.35235606 0.75000000 1.0
Ga Ga10 1 0.15447722 0.15447722 0.06655193 1.0
Ga Ga11 1 0.84552278 0.84552278 0.56655193 1.0
Ga Ga12 1 0.84552278 0.84552278 0.93344807 1.0
Ga Ga13 1 0.15447722 0.15447722 0.43344807 1.0
Ga Ga14 1 0.49962991 0.84673675 0.07547163 1.0
Ga Ga15 1 0.50037009 0.15326325 0.57547163 1.0
Ga Ga16 1 0.15326325 0.50037009 0.92452837 1.0
Ga Ga17 1 0.84673675 0.49962991 0.42452837 1.0
Ga Ga18 1 0.50037009 0.15326325 0.92452837 1.0
Ga Ga19 1 0.49962991 0.84673675 0.42452837 1.0
Ga Ga20 1 0.84673675 0.49962991 0.07547163 1.0
Ga Ga21 1 0.15326325 0.50037009 0.57547163 1.0
Co Co22 1 0.17063332 0.82936668 0.00000000 1.0
Co Co23 1 0.82936668 0.17063332 0.50000000 1.0
Co Co24 1 0.82936668 0.17063332 0.00000000 1.0
Co Co25 1 0.17063332 0.82936668 0.50000000 1.0
Pt Pt26 1 0.50000000 0.50000000 0.50000000 1.0
Pt Pt27 1 0.50000000 0.50000000 0.00000000 1.0
