Sr3AsP

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1013553 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Sr3AsP

MP-ID

mp-1013553

Elements

Sites

Density

3.3065

g/cm³

Volume

185.19

Å³

Cell a

5.7000

Cell b

5.7000

Cell c

5.7000

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 14)

2θ	d (Å)	I	hkl
15.55	5.7000	5.7	(1,0,0)
22.05	4.0305	1.3	(1,1,0)
27.10	3.2909	100.0	(1,1,1)
31.39	2.8500	74.0	(2,0,0)
35.21	2.5491	2.7	(2,1,0)
44.98	2.0153	53.5	(2,2,0)
47.88	1.9000	1.3	(2,2,1)
53.30	1.7186	45.5	(3,1,1)
55.88	1.6455	18.5	(2,2,2)
65.50	1.4250	8.6	(4,0,0)
72.25	1.3077	18.4	(3,3,1)
74.44	1.2746	23.9	(4,2,0)
82.99	1.1635	18.1	(4,2,2)
89.30	1.0970	14.6	(5,1,1)

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Energy Properties

Formation Energy/atom

-0.96267

eV/atom

Energy/atom

-14.79199

eV/atom

Energy above Hull

0.2888

eV/atom

Uncorrected Energy

-3.8054

eV/atom

Volume/atom

37.04

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0015

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

31.673

GPa

G_VRH

21.339

GPa

Young's Modulus E

52.277

GPa

Poisson Ratio ν

0.225

Pugh Ratio K/G

1.484

Vickers Hardness Est.

4.550

GPa

Ductility

Ductile

Anisotropy

1.710

Lame λ

17.447

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.600

Element Family

Alkali-AlkEarth

Solute Fraction

0.400

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

25.997%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6050

smaller = more stable mixing

VEC

2.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.342

Family

Interstitial Alloy

Matrix Element

Sr · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.7100

Homogeneous Poisson ν

0.2250

Debye Temperature

573.4

Sound Velocity

2,812.3

m/s

Homogeneity

0.2250

Related Tasks

Related computation task IDs (5)

aaadegkc aaadonzg aaadunts aaaeowdd aaafbkfv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1013553

Reference Citation

The crystal structure and related material properties of Sr3AsP were obtained from the Materials Project database (MP-ID: mp-1013553, 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_Sr3AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70000000
_cell_length_b   5.70000000
_cell_length_c   5.70000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3AsP
_chemical_formula_sum   'Sr3 As1 P1'
_cell_volume   185.19300000
_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  0.00000000  0.50000000  0.50000000  1.0
  Sr  Sr1  1  0.50000000  0.00000000  0.50000000  1.0
  Sr  Sr2  1  0.50000000  0.50000000  0.00000000  1.0
  As  As3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.50000000  0.50000000  0.50000000  1.0

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