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HEAS Data Platform · Materials Science Database

Sn3P4

Traditional Materials TRA

MP-ID: mp-684588 · Space group: C2 (#5)

Basic Information

Formula
Sn3P4
MP-ID
mp-684588
Elements
2
Sites
7
Density
4.2082
g/cm³
Volume
189.42
ų
Cell a
4.3500
Å
Cell b
4.3500
Å
Cell c
10.8800
Å
α Angle
78.13
°
β Angle
78.13
°
γ Angle
72.04
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
8.40 10.5225 4.1 (0,0,1)
16.85 5.2612 2.0 (0,0,2)
21.73 4.0896 21.3 (1,0,0)
22.08 4.0251 2.0 (1,0,1)
24.53 3.6292 48.6 (1,0,-1)
25.38 3.5093 1.1 (1,1,1)
25.39 3.5075 35.3 (0,0,3)
25.46 3.4982 100.0 (1,0,2)
26.19 3.4026 5.8 (1,1,0)
27.36 3.2600 25.0 (1,1,2)
29.57 3.0206 39.9 (1,1,-1)
29.64 3.0135 5.7 (1,0,-2)
30.95 2.8895 1.2 (1,0,3)
34.08 2.6306 5.4 (0,0,4)
35.08 2.5583 21.2 (1,-1,0)
36.13 2.4858 5.9 (1,-1,1)
36.20 2.4816 27.4 (1,0,-3)
37.52 2.3968 14.6 (1,1,4)
37.73 2.3844 2.0 (1,0,4)
39.16 2.3007 2.2 (1,-1,2)
41.40 2.1808 1.2 (1,1,-3)
42.42 2.1307 33.6 (2,1,1)
42.98 2.1045 4.4 (0,0,5)
43.00 2.1033 3.2 (2,1,2)
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Energy Properties

Formation Energy/atom
0.20613
eV/atom
Energy/atom
-15.54342
eV/atom
Energy above Hull
0.2114
eV/atom
Uncorrected Energy
-4.6323
eV/atom
Volume/atom
27.06
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
P · 0.571
Element Family
N/A
Solute Fraction
0.429
Interstitial Fraction
0.571

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.512
Family
Binary Alloy
Matrix Element
P · 0.571

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-684588
Reference Citation

The crystal structure and related material properties of Sn3P4 were obtained from the Materials Project database (MP-ID: mp-684588, 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_Sn3P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35001923
_cell_length_b   4.35001923
_cell_length_c   10.87995583
_cell_angle_alpha   78.13441739
_cell_angle_beta   78.13441739
_cell_angle_gamma   72.04487124
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3P4
_chemical_formula_sum   'Sn3 P4'
_cell_volume   189.41633978
_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
  Sn  Sn0  1  0.95169800  0.04830200  0.00000000  1.0
  Sn  Sn1  1  0.78725100  0.80082700  0.62805300  1.0
  Sn  Sn2  1  0.19917300  0.21274900  0.37194700  1.0
  P  P3  1  0.96249200  0.47754700  0.14556300  1.0
  P  P4  1  0.59804800  0.60561500  0.31090200  1.0
  P  P5  1  0.39438500  0.40195200  0.68909800  1.0
  P  P6  1  0.52245300  0.03750800  0.85443700  1.0
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