Er4Al17Ga7Pt9
High-Entropy Materials HEAMP-ID: mp-3295163 · Space group: P1 (#1)
Basic Information
Formula
Er4Al17Ga7Pt9
MP-ID
mp-3295163
Elements
4
Sites
37
Density
9.0289
g/cm³
Volume
620.07
ų
Cell a
7.4557
Å
Cell b
7.4450
Å
Cell c
13.1353
Å
α Angle
84.66
°
β Angle
100.79
°
γ Angle
120.03
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 6.85 | 12.9030 | 28.2 | (0,0,1) |
| 13.73 | 6.4515 | 2.5 | (0,0,2) |
| 13.74 | 6.4456 | 1.7 | (0,1,0) |
| 13.91 | 6.3683 | 15.6 | (1,0,0) |
| 13.91 | 6.3675 | 6.7 | (1,-1,0) |
| 14.48 | 6.1180 | 2.9 | (1,-1,-1) |
| 16.50 | 5.3732 | 3.9 | (1,0,1) |
| 17.90 | 4.9544 | 2.2 | (1,0,-2) |
| 19.47 | 4.5581 | 1.1 | (0,1,2) |
| 20.65 | 4.3010 | 52.7 | (0,0,3) |
| 23.99 | 3.7100 | 62.9 | (2,-1,-1) |
| 24.01 | 3.7065 | 64.6 | (1,1,0) |
| 24.01 | 3.7060 | 78.2 | (1,-2,0) |
| 24.90 | 3.5764 | 2.1 | (0,1,3) |
| 25.63 | 3.4764 | 1.4 | (2,-1,-2) |
| 25.63 | 3.4755 | 1.3 | (1,1,1) |
| 26.52 | 3.3614 | 11.5 | (2,-1,1) |
| 26.57 | 3.3551 | 11.1 | (1,1,-2) |
| 26.59 | 3.3527 | 19.7 | (1,-2,-2) |
| 26.83 | 3.3226 | 1.5 | (1,-1,3) |
| 27.65 | 3.2258 | 10.3 | (0,0,4) |
| 27.74 | 3.2159 | 7.0 | (2,0,-1) |
| 27.75 | 3.2149 | 2.6 | (2,-2,-1) |
| 28.03 | 3.1838 | 5.3 | (2,-2,0) |
Energy Properties
Formation Energy/atom
-0.95530
eV/atom
Energy/atom
-22.40492
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.4049
eV/atom
Volume/atom
16.76
ų
c/a Ratio
1.7618
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
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
Al · 0.459
Element Family
PostTransition-Noble
Solute Fraction
0.541
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2567
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.4482
J/mol·K
Ω Parameter
0.5032
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.789%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3251
smaller = more stable mixing
VEC
5.676
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-24.448
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9065
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295163
Reference Citation
The crystal structure and related material properties of Er4Al17Ga7Pt9 were obtained from the Materials Project database (MP-ID: mp-3295163, 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_Er4Al17Ga7Pt9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45569845
_cell_length_b 7.44504348
_cell_length_c 13.13532624
_cell_angle_alpha 84.65904930
_cell_angle_beta 100.79240744
_cell_angle_gamma 120.03100601
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er4Al17Ga7Pt9
_chemical_formula_sum 'Er4 Al17 Ga7 Pt9'
_cell_volume 620.06990774
_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 0.73587028 0.00289105 0.19064973 1.0
Er Er1 1 0.26211766 0.99530395 0.80876337 1.0
Er Er2 1 0.05858012 0.66463931 0.18899660 1.0
Er Er3 1 0.94128757 0.33712452 0.81069835 1.0
Al Al4 1 0.11830033 0.33416654 0.33102165 1.0
Al Al5 1 0.60218770 0.45778339 0.81538546 1.0
Al Al6 1 0.39715750 0.54210470 0.18439238 1.0
Al Al7 1 0.23017166 0.33962634 0.67046183 1.0
Al Al8 1 0.76998463 0.66019538 0.32959087 1.0
Al Al9 1 0.85403326 0.33246887 0.55840049 1.0
Al Al10 1 0.18569917 0.99945026 0.55840095 1.0
Al Al11 1 0.81416587 0.00065420 0.44097792 1.0
Al Al12 1 0.35202014 0.00111459 0.05505620 1.0
Al Al13 1 0.64752094 0.99939564 0.94498713 1.0
Al Al14 1 0.55649110 0.99521781 0.67048645 1.0
Al Al15 1 0.44360711 0.00472461 0.32933054 1.0
Al Al16 1 0.52034068 0.66755961 0.55956047 1.0
Al Al17 1 0.48114276 0.33218775 0.44047022 1.0
Al Al18 1 0.68373329 0.66621629 0.04945334 1.0
Al Al19 1 0.31516851 0.33336499 0.95046485 1.0
Al Al20 1 0.14636884 0.66711362 0.44062274 1.0
Ga Ga21 1 0.80266336 0.87387408 0.81544395 1.0
Ga Ga22 1 0.19703993 0.12836390 0.18486488 1.0
Ga Ga23 1 0.98149973 0.66669927 0.93970245 1.0
Ga Ga24 1 0.01768796 0.33328890 0.06141627 1.0
Ga Ga25 1 0.40097718 0.66452989 0.81667989 1.0
Ga Ga26 1 0.59958952 0.33544219 0.18309323 1.0
Ga Ga27 1 0.88460603 0.66528448 0.67247234 1.0
Pt Pt28 1 0.33561464 0.67341486 0.00371842 1.0
Pt Pt29 1 0.54347915 0.32392664 0.63724641 1.0
Pt Pt30 1 0.45409576 0.67318647 0.36246737 1.0
Pt Pt31 1 0.88654586 0.01036231 0.63665965 1.0
Pt Pt32 1 0.11345444 0.99195213 0.36310293 1.0
Pt Pt33 1 0.66362739 0.32653495 0.99595617 1.0
Pt Pt34 1 0.20723835 0.66700975 0.63601986 1.0
Pt Pt35 1 0.79614130 0.33283117 0.36274630 1.0
Pt Pt36 1 0.99979029 0.99999260 0.00023936 1.0
