Basic Information
Formula
Sr3SbP
MP-ID
mp-1013535
Elements
3
Sites
5
Density
3.0394
g/cm³
Volume
227.05
ų
Cell a
6.1007
Å
Cell b
6.1007
Å
Cell c
6.1007
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 14.52 | 6.1007 | 94.4 | (1,0,0) |
| 20.59 | 4.3138 | 11.9 | (1,1,0) |
| 25.29 | 3.5222 | 34.5 | (1,1,1) |
| 29.28 | 3.0503 | 100.0 | (2,0,0) |
| 32.83 | 2.7283 | 54.0 | (2,1,0) |
| 36.06 | 2.4906 | 5.2 | (2,1,1) |
| 41.88 | 2.1569 | 74.3 | (2,2,0) |
| 44.56 | 2.0336 | 28.9 | (3,0,0) |
| 47.11 | 1.9292 | 2.4 | (3,1,0) |
| 49.56 | 1.8394 | 15.7 | (3,1,1) |
| 51.92 | 1.7611 | 26.1 | (2,2,2) |
| 54.21 | 1.6920 | 12.9 | (3,2,0) |
| 56.44 | 1.6305 | 2.7 | (3,2,1) |
| 60.72 | 1.5252 | 12.2 | (4,0,0) |
| 62.80 | 1.4796 | 16.5 | (3,2,2) |
| 64.84 | 1.4379 | 1.3 | (3,3,0) |
| 66.85 | 1.3996 | 6.4 | (3,3,1) |
| 68.82 | 1.3642 | 33.5 | (4,2,0) |
| 70.77 | 1.3313 | 11.5 | (4,2,1) |
| 76.50 | 1.2453 | 24.9 | (4,2,2) |
| 78.37 | 1.2201 | 5.4 | (4,3,0) |
| 80.23 | 1.1964 | 1.4 | (4,3,1) |
| 82.09 | 1.1741 | 4.9 | (3,3,3) |
| 85.77 | 1.1329 | 10.5 | (4,3,2) |
Energy Properties
Formation Energy/atom
-0.28312
eV/atom
Energy/atom
-3.20747
eV/atom
Energy above Hull
0.7715
eV/atom
Uncorrected Energy
-3.2075
eV/atom
Volume/atom
45.41
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
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.600
Element Family
Alkali-AlkEarth
Solute Fraction
0.400
Interstitial Fraction
0.200
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
1.9212
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
21.756%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5749
smaller = more stable mixing
VEC
3.200
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.595
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8650
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1013535
Reference Citation
The crystal structure and related material properties of Sr3SbP were obtained from the Materials Project database (MP-ID: mp-1013535, 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_Sr3SbP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10065100
_cell_length_b 6.10065100
_cell_length_c 6.10065100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr3SbP
_chemical_formula_sum 'Sr3 Sb1 P1'
_cell_volume 227.05367889
_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
Sb Sb3 1 0.50000000 0.50000000 0.50000000 1.0
P P4 1 0.00000000 0.00000000 0.00000000 1.0
