Sr3AsP
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1013532 · Space group: Pm-3m (#221)
Basic Information
Formula
Sr3AsP
MP-ID
mp-1013532
Elements
3
Sites
5
Density
3.1547
g/cm³
Volume
194.10
ų
Cell a
5.7900
Å
Cell b
5.7900
Å
Cell c
5.7900
Å
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
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 18)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.30 | 5.7900 | 68.7 | (1,0,0) |
| 21.71 | 4.0942 | 1.8 | (1,1,0) |
| 26.67 | 3.3429 | 67.1 | (1,1,1) |
| 30.89 | 2.8950 | 100.0 | (2,0,0) |
| 34.64 | 2.5894 | 38.4 | (2,1,0) |
| 44.25 | 2.0471 | 72.7 | (2,2,0) |
| 47.09 | 1.9300 | 20.2 | (3,0,0) |
| 52.41 | 1.7458 | 29.7 | (3,1,1) |
| 54.93 | 1.6714 | 25.3 | (2,2,2) |
| 57.38 | 1.6059 | 9.0 | (3,2,0) |
| 64.36 | 1.4475 | 11.7 | (4,0,0) |
| 66.59 | 1.4043 | 11.4 | (3,2,2) |
| 70.95 | 1.3283 | 12.1 | (3,3,1) |
| 73.09 | 1.2947 | 32.5 | (4,2,0) |
| 75.20 | 1.2635 | 8.0 | (4,2,1) |
| 81.43 | 1.1819 | 24.5 | (4,2,2) |
| 83.48 | 1.1580 | 3.8 | (4,3,0) |
| 87.55 | 1.1143 | 9.6 | (3,3,3) |
Energy Properties
Formation Energy/atom
-0.76077
eV/atom
Energy/atom
-14.59009
eV/atom
Energy above Hull
0.4907
eV/atom
Uncorrected Energy
-3.6035
eV/atom
Volume/atom
38.82
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0228
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000120
μB/ų
Elastic Properties
Elastic data not available
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
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.334
Family
Interstitial Alloy
Matrix Element
Sr · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1013532
Reference Citation
The crystal structure and related material properties of Sr3AsP were obtained from the Materials Project database (MP-ID: mp-1013532, 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 5.79000000
_cell_length_b 5.79000000
_cell_length_c 5.79000000
_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 194.10453900
_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 0.50000000 0.50000000 0.50000000 1.0
P P4 1 0.00000000 0.00000000 0.00000000 1.0
