Sr8LaPt6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296621 · Space group: R3 (#146)

Materials Project API

Basic Information

Formula

Sr8LaPt6

MP-ID

mp-3296621

Elements

Sites

Density

7.4820

g/cm³

Volume

446.18

Å³

Cell a

8.0591

Cell b

8.0591

Cell c

8.0591

α Angle

69.89

β Angle

69.89

γ Angle

69.89

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
12.10	7.3157	63.9	(1,0,0)
14.65	6.0448	20.2	(1,1,1)
14.77	5.9968	9.5	(1,1,0)
19.23	4.6160	31.4	(1,0,-1)
22.78	3.9039	15.6	(1,1,-1)
24.26	3.6687	40.5	(2,1,0)
24.33	3.6579	3.1	(2,0,0)
24.33	3.6579	1.5	(0,2,0)
27.00	3.3029	8.7	(2,2,1)
29.56	3.0224	41.1	(2,2,2)
29.80	2.9984	8.1	(2,2,0)
29.98	2.9808	19.7	(2,0,-1)
29.98	2.9808	10.3	(2,-1,0)
31.20	2.8669	99.8	(2,1,-1)
33.36	2.6861	14.8	(3,1,1)
33.63	2.6651	71.7	(2,-1,-1)
35.50	2.5286	100.0	(3,2,1)
35.71	2.5145	26.2	(3,1,0)
35.71	2.5145	43.7	(3,0,1)
36.46	2.4645	1.5	(3,2,2)
36.86	2.4386	7.6	(3,0,0)
38.79	2.3216	22.4	(3,2,0)
41.00	2.2011	32.4	(2,1,-2)
41.54	2.1740	7.9	(3,3,1)

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Energy Properties

Formation Energy/atom

-0.84097

eV/atom

Energy/atom

-31.49673

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.4967

eV/atom

Volume/atom

29.75

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0081

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.533

Element Family

Alkali-AlkEarth

Solute Fraction

0.467

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8823

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.3355

J/mol·K

Ω Parameter

1.6828

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.909%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6444

smaller = more stable mixing

VEC

5.267

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.347

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8031

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.573

Family

Sr-rich Multi-Component

Matrix Element

Sr · 0.533

Related Tasks

Related computation task IDs (1)

aaahford

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296621

Reference Citation

The crystal structure and related material properties of Sr8LaPt6 were obtained from the Materials Project database (MP-ID: mp-3296621, 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_Sr8LaPt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05913966
_cell_length_b   8.05913956
_cell_length_c   8.05914017
_cell_angle_alpha   69.88732628
_cell_angle_beta   69.88732796
_cell_angle_gamma   69.88732454
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr8LaPt6
_chemical_formula_sum   'Sr8 La1 Pt6'
_cell_volume   446.17967376
_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  0.00343999  0.00343999  0.00343999  1.0
  Sr  Sr1  1  0.20003369  0.20003369  0.20003369  1.0
  Sr  Sr2  1  0.33087807  0.60563333  0.84518360  1.0
  Sr  Sr3  1  0.84518360  0.33087807  0.60563333  1.0
  Sr  Sr4  1  0.60563333  0.84518360  0.33087807  1.0
  Sr  Sr5  1  0.66961790  0.39398925  0.15310757  1.0
  Sr  Sr6  1  0.15310757  0.66961790  0.39398925  1.0
  Sr  Sr7  1  0.39398925  0.15310757  0.66961790  1.0
  La  La8  1  0.80568115  0.80568115  0.80568115  1.0
  Pt  Pt9  1  0.14331080  0.95478006  0.59506080  1.0
  Pt  Pt10  1  0.59506080  0.14331080  0.95478006  1.0
  Pt  Pt11  1  0.95478006  0.59506080  0.14331080  1.0
  Pt  Pt12  1  0.83493937  0.03566351  0.42868092  1.0
  Pt  Pt13  1  0.42868092  0.83493937  0.03566351  1.0
  Pt  Pt14  1  0.03566351  0.42868092  0.83493937  1.0

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