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PrSn2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025069 · Space group: Cmmm (#65)

Basic Information

Formula
PrSn2
MP-ID
mp-1025069
Elements
2
Sites
6
Density
7.3494
g/cm³
Volume
170.96
ų
Cell a
4.4953
Å
Cell b
4.6075
Å
Cell c
8.5548
Å
α Angle
90.00
°
β Angle
105.23
°
γ Angle
90.00
°
Space Group
Cmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
Yes
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
20.48 4.3374 2.2 (1,0,0)
22.09 4.0231 2.9 (0,1,1)
29.05 3.0742 8.8 (0,1,2)
32.23 2.7776 100.0 (1,1,1)
32.54 2.7514 16.0 (0,0,3)
33.68 2.6610 3.5 (1,0,2)
33.68 2.6610 3.5 (1,0,-3)
39.10 2.3037 17.0 (0,2,0)
40.12 2.2476 15.8 (2,0,-1)
43.33 2.0884 6.6 (1,0,3)
48.33 1.8833 5.4 (0,1,4)
50.29 1.8144 1.9 (2,1,1)
50.29 1.8144 1.9 (2,1,-3)
51.76 1.7663 8.8 (0,2,3)
52.54 1.7417 4.1 (1,2,2)
52.58 1.7407 4.2 (2,0,2)
52.58 1.7407 4.2 (2,0,-4)
57.27 1.6088 11.3 (2,2,-1)
57.87 1.5935 2.8 (1,1,4)
57.87 1.5935 2.8 (1,1,-5)
59.48 1.5541 3.4 (0,1,5)
59.77 1.5473 2.6 (1,2,3)
59.77 1.5473 2.6 (1,2,-4)
64.56 1.4435 2.3 (2,1,3)
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Energy Properties

Formation Energy/atom
-0.63503
eV/atom
Energy/atom
-4.90657
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.9797
eV/atom
Volume/atom
28.49
ų
c/a Ratio
-

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
53.735
GPa
GVRH
30.622
GPa
Young's Modulus E
77.201
GPa
Poisson Ratio ν
0.261
Pugh Ratio K/G
1.755
Vickers Hardness Est.
4.667
GPa
Ductility
Brittle
Anisotropy
0.455
Lame λ
33.320
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.788
Family
Binary Alloy
Matrix Element
Sn · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4550
Homogeneous Poisson ν
0.2610
Debye Temperature
258.3
K
Sound Velocity
2,269.0
m/s
Homogeneity
0.2610

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1025069
Reference Citation

The crystal structure and related material properties of PrSn2 were obtained from the Materials Project database (MP-ID: mp-1025069, 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_PrSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49527457
_cell_length_b   4.60747352
_cell_length_c   8.55476640
_cell_angle_alpha   90.00000000
_cell_angle_beta   105.23240332
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrSn2
_chemical_formula_sum   'Pr2 Sn4'
_cell_volume   170.96025497
_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
  Pr  Pr0  1  0.85658905  0.50000000  0.71317810  1.0
  Pr  Pr1  1  0.14341095  0.50000000  0.28682190  1.0
  Sn  Sn2  1  0.68914511  0.00000000  0.37829121  1.0
  Sn  Sn3  1  0.31085489  -0.00000000  0.62170879  1.0
  Sn  Sn4  1  0.50000000  0.50000000  -0.00000000  1.0
  Sn  Sn5  1  -0.00000000  -0.00000000  -0.00000000  1.0
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