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SnP3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-7541 · Space group: R-3m (#166)

Basic Information

Formula
SnP3
MP-ID
mp-7541
Elements
2
Sites
8
Density
4.1280
g/cm³
Volume
170.26
ų
Cell a
5.5846
Å
Cell b
5.5846
Å
Cell c
5.5846
Å
α Angle
82.69
°
β Angle
82.69
°
γ Angle
82.69
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
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
16.10 5.5039 3.3 (1,0,0)
21.51 4.1319 50.4 (1,1,0)
24.12 3.6893 42.4 (1,0,-1)
24.65 3.6112 8.1 (1,1,1)
29.14 3.0645 1.2 (1,-1,1)
32.54 2.7519 100.0 (2,0,0)
36.02 2.4936 22.5 (2,1,1)
40.91 2.2059 28.5 (2,1,-1)
42.44 2.1300 9.7 (2,-1,-1)
43.82 2.0660 11.0 (2,0,2)
43.82 2.0660 22.0 (2,2,0)
49.41 1.8446 31.2 (2,0,-2)
50.55 1.8056 4.7 (2,2,2)
50.64 1.8026 11.4 (3,1,0)
50.92 1.7932 3.9 (3,1,1)
50.92 1.7932 2.0 (1,3,1)
54.48 1.6844 11.2 (3,0,-1)
55.98 1.6427 3.0 (3,1,-1)
56.77 1.6218 13.5 (3,2,1)
60.41 1.5323 10.4 (2,-2,2)
60.41 1.5323 5.2 (2,2,-2)
62.64 1.4830 10.2 (3,2,-1)
66.02 1.4151 4.3 (3,1,-2)
67.13 1.3944 2.1 (3,-1,-2)
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Energy Properties

Formation Energy/atom
-0.00684
eV/atom
Energy/atom
-12.94495
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-12.9449
eV/atom
Volume/atom
21.28
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
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
43.262
GPa
GVRH
25.390
GPa
Young's Modulus E
63.707
GPa
Poisson Ratio ν
0.255
Pugh Ratio K/G
1.704
Vickers Hardness Est.
4.112
GPa
Ductility
Ductile
Anisotropy
1.484
Lame λ
26.335
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
P · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.750

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.721
Family
Binary Alloy
Matrix Element
P · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.4840
Homogeneous Poisson ν
0.2550
Debye Temperature
295.9
K
Sound Velocity
2,754.8
m/s
Homogeneity
0.2550

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-7541
Reference Citation

The crystal structure and related material properties of SnP3 were obtained from the Materials Project database (MP-ID: mp-7541, 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_SnP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58462084
_cell_length_b   5.58462040
_cell_length_c   5.58462069
_cell_angle_alpha   82.69284891
_cell_angle_beta   82.69284899
_cell_angle_gamma   82.69285110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnP3
_chemical_formula_sum   'Sn2 P6'
_cell_volume   170.26114481
_cell_formula_units_Z   2
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
  Sn  Sn0  1  0.74594195  0.74594195  0.74594195  1.0
  Sn  Sn1  1  0.25405805  0.25405805  0.25405805  1.0
  P  P2  1  0.20089177  0.20089177  0.74082120  1.0
  P  P3  1  0.20089177  0.74082120  0.20089177  1.0
  P  P4  1  0.79910823  0.25917880  0.79910823  1.0
  P  P5  1  0.79910823  0.79910823  0.25917880  1.0
  P  P6  1  0.25917880  0.79910823  0.79910823  1.0
  P  P7  1  0.74082120  0.20089177  0.20089177  1.0
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