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SrP

Elasticity Data ELA

MP-ID: mp-7931 · Space group: P-62m (#189)

Basic Information

Formula
SrP
MP-ID
mp-7931
Elements
2
Sites
12
Density
3.4512
g/cm³
Volume
342.36
ų
Cell a
8.0855
Å
Cell b
8.0855
Å
Cell c
6.0470
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
21.99 4.0428 1.4 (2,-1,-1,0)
26.52 3.3609 100.0 (2,-1,-1,1)
29.48 3.0299 8.8 (2,0,-2,1)
29.54 3.0235 9.9 (0,0,0,2)
33.87 2.6466 4.8 (3,-1,-2,0)
37.08 2.4246 2.2 (3,-1,-2,1)
37.13 2.4213 31.0 (2,-1,-1,2)
38.57 2.3341 40.8 (3,0,-3,0)
45.55 1.9914 4.1 (3,-1,-2,2)
46.78 1.9421 1.1 (4,-3,-1,0)
46.91 1.9370 2.7 (1,0,-1,3)
47.42 1.9171 16.6 (4,-2,-2,1)
49.32 1.8476 11.4 (3,0,-3,2)
50.60 1.8039 16.7 (2,-1,-1,3)
54.58 1.6815 1.6 (4,0,-4,1)
54.61 1.6804 8.6 (4,-2,-2,2)
56.30 1.6340 1.3 (4,-3,-1,2)
59.54 1.5526 4.8 (5,-2,-3,1)
61.32 1.5117 2.2 (0,0,0,4)
62.72 1.4815 5.9 (4,-5,1,1)
62.72 1.4815 5.9 (5,-1,-4,1)
65.38 1.4273 6.4 (4,-2,-2,3)
65.83 1.4186 1.2 (5,-2,-3,2)
65.97 1.4160 2.4 (2,-1,-1,4)
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Energy Properties

Formation Energy/atom
-1.21043
eV/atom
Energy/atom
-13.28430
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.2843
eV/atom
Volume/atom
28.53
ų
c/a Ratio
0.7479

Electronic Properties

Metallic
Non-metal
Band Gap
0.464
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
44.749
GPa
GVRH
26.944
GPa
Young's Modulus E
67.320
GPa
Poisson Ratio ν
0.249
Pugh Ratio K/G
1.661
Vickers Hardness Est.
4.587
GPa
Ductility
Ductile
Anisotropy
0.042
Lame λ
26.786
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.500
Element Family
Alkali-AlkEarth
Solute Fraction
0.500
Interstitial Fraction
0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0420
Homogeneous Poisson ν
0.2490
Debye Temperature
472.7
K
Sound Velocity
3,101.7
m/s
Homogeneity
0.2490

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-7931
Reference Citation

The crystal structure and related material properties of SrP were obtained from the Materials Project database (MP-ID: mp-7931, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_SrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08553955
_cell_length_b   8.08554020
_cell_length_c   6.04697283
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrP
_chemical_formula_sum   'Sr6 P6'
_cell_volume   342.36289376
_cell_formula_units_Z   6
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  0.63985189  0.50000000  1.0
  Sr  Sr1  1  0.36014811  0.36014811  0.50000000  1.0
  Sr  Sr2  1  0.63985189  0.00000000  0.50000000  1.0
  Sr  Sr3  1  -0.00000000  0.30490625  0.00000000  1.0
  Sr  Sr4  1  0.69509375  0.69509375  0.00000000  1.0
  Sr  Sr5  1  0.30490625  0.00000000  0.00000000  1.0
  P  P6  1  0.66666700  0.33333300  0.19071642  1.0
  P  P7  1  0.66666700  0.33333300  0.80928358  1.0
  P  P8  1  0.33333300  0.66666700  0.80928358  1.0
  P  P9  1  0.33333300  0.66666700  0.19071642  1.0
  P  P10  1  0.00000000  0.00000000  0.68563537  1.0
  P  P11  1  0.00000000  0.00000000  0.31436463  1.0
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