Er3Al2Ga3Pt

High-Entropy Materials HEA

MP-ID: mp-3248982 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Er3Al2Ga3Pt

MP-ID

mp-3248982

Elements

Sites

Density

9.1930

g/cm³

Volume

173.40

Å³

Cell a

6.8589

Cell b

6.8589

Cell c

4.2446

α Angle

90.00

β Angle

90.00

γ Angle

119.73

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.87	5.9562	2.3	(1,0,-1,0)
14.94	5.9318	2.5	(1,-1,0,0)
20.93	4.2446	37.4	(0,0,0,1)
25.77	3.4567	7.5	(1,0,-1,1)
25.81	3.4519	1.2	(1,-1,0,1)
25.87	3.4436	8.1	(1,1,-2,0)
25.98	3.4294	7.9	(2,-1,-1,0)
25.98	3.4294	7.9	(1,-2,1,0)
30.01	2.9781	27.2	(2,0,-2,0)
30.13	2.9659	20.9	(2,-2,0,0)
33.51	2.6742	15.9	(1,1,-2,1)
33.60	2.6676	25.9	(2,-1,-1,1)
33.60	2.6676	25.9	(1,-2,1,1)
36.87	2.4379	100.0	(2,0,-2,1)
36.97	2.4312	35.0	(2,-2,0,1)
40.00	2.2539	11.2	(2,1,-3,0)
40.13	2.2473	2.9	(3,-1,-2,0)
40.13	2.2473	2.9	(1,-3,2,0)
40.20	2.2433	4.5	(3,-2,-1,0)
40.20	2.2433	4.5	(2,-3,1,0)
42.60	2.1223	33.3	(0,0,0,2)
45.57	1.9907	8.5	(2,1,-3,1)
45.68	1.9861	5.9	(3,-1,-2,1)
45.68	1.9861	5.9	(1,-3,2,1)

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Energy Properties

Formation Energy/atom

-0.94773

eV/atom

Energy/atom

-23.28734

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.2873

eV/atom

Volume/atom

19.27

Å³

c/a Ratio

0.6189

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3108

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8979

J/mol·K

Ω Parameter

1.5577

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.645%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3294

smaller = more stable mixing

VEC

6.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.946

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9455

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcwew

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248982

Reference Citation

The crystal structure and related material properties of Er3Al2Ga3Pt were obtained from the Materials Project database (MP-ID: mp-3248982, 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_Er3Al2Ga3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85886477
_cell_length_b   6.85886383
_cell_length_c   4.24462288
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.72719970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Al2Ga3Pt
_chemical_formula_sum   'Er3 Al2 Ga3 Pt1'
_cell_volume   173.40493421
_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  0.58198163  0.99938256  0.00000000  1.0
  Er  Er1  1  0.42131196  0.42131196  0.00000000  1.0
  Er  Er2  1  0.99938256  0.58198063  0.00000000  1.0
  Al  Al3  1  0.23430771  0.00087494  0.49999900  1.0
  Al  Al4  1  0.00087494  0.23430771  0.49999900  1.0
  Ga  Ga5  1  0.66706575  0.33037221  0.49999900  1.0
  Ga  Ga6  1  0.33037221  0.66706575  0.49999900  1.0
  Ga  Ga7  1  0.75679983  0.75679983  0.49999900  1.0
  Pt  Pt8  1  0.00790442  0.00790442  0.00000000  1.0

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