Sr4AlGa3Pt4

高熵材料 HEA

MP-ID: mp-3293693 · Space group: R3 (#146)

Materials Project API

Basic Information

Formula

Sr4AlGa3Pt4

MP-ID

mp-3293693

Elements

Sites

Density

7.5184

g/cm³

Volume

301.91

Å³

Cell a

6.7086

Cell b

6.7086

Cell c

6.7086

α Angle

89.76

β Angle

89.76

γ Angle

89.76

Space Group

Point Group

Crystal System

Trigonal

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
13.20	6.7085	2.5	(1,0,0)
18.67	4.7536	43.0	(1,1,0)
18.75	4.7337	36.3	(1,0,-1)
18.75	4.7336	18.1	(0,1,-1)
22.86	3.8896	22.6	(1,1,1)
22.99	3.8677	97.6	(1,1,-1)
26.57	3.3542	16.3	(2,0,0)
29.73	3.0052	86.2	(2,1,0)
29.83	2.9951	100.0	(2,0,-1)
32.58	2.7484	55.1	(2,1,1)
32.72	2.7368	77.4	(2,1,-1)
32.72	2.7368	38.7	(1,2,-1)
32.77	2.7330	47.5	(2,-1,-1)
37.85	2.3768	18.2	(2,2,0)
38.02	2.3668	11.4	(2,0,-2)
40.18	2.2446	19.6	(2,2,1)
40.33	2.2362	20.7	(2,2,-1)
40.41	2.2320	15.0	(2,-1,-2)
40.41	2.2320	30.0	(2,1,-2)
42.56	2.1241	46.1	(3,1,0)
42.67	2.1187	34.9	(3,0,-1)
44.68	2.0281	10.3	(3,1,1)
44.83	2.0219	9.3	(3,1,-1)
44.83	2.0219	4.7	(1,3,-1)

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Energy Properties

Formation Energy/atom

-0.92457

eV/atom

Energy/atom

-26.55740

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.5574

eV/atom

Volume/atom

25.16

Å³

c/a Ratio

1.0000

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

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.333

Element Family

Alkali-AlkEarth

Solute Fraction

0.667

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

1.0294

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.471%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5495

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.296

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkin

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293693

Reference Citation

The crystal structure and related material properties of Sr4AlGa3Pt4 were obtained from the Materials Project database (MP-ID: mp-3293693, 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_Sr4AlGa3Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70858546
_cell_length_b   6.70858535
_cell_length_c   6.70858529
_cell_angle_alpha   89.75769261
_cell_angle_beta   89.75769551
_cell_angle_gamma   89.75769480
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4AlGa3Pt4
_chemical_formula_sum   'Sr4 Al1 Ga3 Pt4'
_cell_volume   301.91259676
_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
  Sr  Sr0  1  0.15593213  0.15593213  0.15593213  1.0
  Sr  Sr1  1  0.84515483  0.65391038  0.34466365  1.0
  Sr  Sr2  1  0.34466365  0.84515483  0.65391038  1.0
  Sr  Sr3  1  0.65391038  0.34466365  0.84515483  1.0
  Al  Al4  1  0.84695118  0.84695118  0.84695118  1.0
  Ga  Ga5  1  0.34459327  0.65593062  0.15408826  1.0
  Ga  Ga6  1  0.65593062  0.15408826  0.34459327  1.0
  Ga  Ga7  1  0.15408826  0.34459327  0.65593062  1.0
  Pt  Pt8  1  0.57700462  0.92529981  0.07226614  1.0
  Pt  Pt9  1  0.42420511  0.42420511  0.42420511  1.0
  Pt  Pt10  1  0.92529981  0.07226614  0.57700462  1.0
  Pt  Pt11  1  0.07226614  0.57700462  0.92529981  1.0

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