Basic Information
Formula
EuIn2Au
MP-ID
mp-639496
Elements
3
Sites
8
Density
9.7604
g/cm³
Volume
196.86
ų
Cell a
4.6860
Å
Cell b
6.0325
Å
Cell c
7.5617
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
112.93
°
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 |
|---|---|---|---|
| 15.95 | 5.5557 | 34.2 | (0,1,0) |
| 19.83 | 4.4772 | 3.0 | (0,1,1) |
| 19.83 | 4.4772 | 3.0 | (0,1,-1) |
| 20.56 | 4.3198 | 1.1 | (1,-1,0) |
| 20.58 | 4.3156 | 1.1 | (1,0,0) |
| 23.53 | 3.7809 | 27.0 | (0,0,2) |
| 23.72 | 3.7509 | 3.9 | (1,-1,-1) |
| 23.72 | 3.7509 | 3.9 | (1,-1,1) |
| 23.74 | 3.7482 | 4.0 | (1,0,1) |
| 23.74 | 3.7482 | 4.0 | (1,0,-1) |
| 28.56 | 3.1257 | 2.5 | (0,1,2) |
| 28.56 | 3.1257 | 2.5 | (0,1,-2) |
| 30.75 | 2.9077 | 3.0 | (1,-2,0) |
| 30.79 | 2.9038 | 3.1 | (1,1,0) |
| 31.44 | 2.8451 | 47.5 | (1,-1,-2) |
| 31.44 | 2.8451 | 47.5 | (1,-1,2) |
| 31.46 | 2.8439 | 47.1 | (1,0,2) |
| 31.46 | 2.8439 | 47.1 | (1,0,-2) |
| 32.22 | 2.7779 | 14.7 | (0,2,0) |
| 33.01 | 2.7140 | 50.2 | (1,-2,-1) |
| 33.01 | 2.7139 | 50.2 | (1,-2,1) |
| 33.04 | 2.7108 | 50.2 | (1,1,1) |
| 33.04 | 2.7108 | 50.2 | (1,1,-1) |
| 34.39 | 2.6075 | 42.8 | (0,2,1) |
Energy Properties
Formation Energy/atom
-0.52644
eV/atom
Energy/atom
-5.29652
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.2259
eV/atom
Volume/atom
24.61
ų
c/a Ratio
1.6137
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
14.1842
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.072050
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
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
1.1490
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.778%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4759
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.198
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-639496
Reference Citation
The crystal structure and related material properties of EuIn2Au were obtained from the Materials Project database (MP-ID: mp-639496, 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_EuIn2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68599910
_cell_length_b 6.03250214
_cell_length_c 7.56172108
_cell_angle_alpha 89.99986715
_cell_angle_beta 89.99997416
_cell_angle_gamma 112.93261040
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuIn2Au
_chemical_formula_sum 'Eu2 In4 Au2'
_cell_volume 196.86245251
_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
Eu Eu0 1 0.92268234 0.84512530 0.24999887 1.0
Eu Eu1 1 0.07732334 0.15488286 0.74999876 1.0
In In2 1 0.36444737 0.72922893 0.55187073 1.0
In In3 1 0.63554886 0.27077225 0.44812267 1.0
In In4 1 0.36444531 0.72922457 0.94812507 1.0
In In5 1 0.63555529 0.27076701 0.05188201 1.0
Au Au6 1 0.21030209 0.41975688 0.25000063 1.0
Au Au7 1 0.78969540 0.58024120 0.75000125 1.0
