Navigation

HEAS Data Platform · Materials Science Database

Pt3W

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-862798 · Space group: I4/mmm (#139)

Basic Information

Formula
Pt3W
MP-ID
mp-862798
Elements
2
Sites
4
Density
20.9404
g/cm³
Volume
60.99
ų
Cell a
4.8719
Å
Cell b
4.8719
Å
Cell c
4.8719
Å
α Angle
132.87
°
β Angle
132.87
°
γ Angle
68.86
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 8)
2θd (Å)Ihkl
39.67 2.2721 100.0 (1,1,0)
45.13 2.0092 17.4 (2,2,-2)
46.63 1.9479 31.8 (1,-1,1)
66.90 1.3985 21.9 (3,1,-1)
68.07 1.3774 10.4 (0,0,2)
79.58 1.2046 13.6 (3,3,-2)
81.77 1.1779 25.5 (2,0,1)
85.47 1.1361 11.6 (2,2,0)
Get direct link

Energy Properties

Formation Energy/atom
-0.25043
eV/atom
Energy/atom
-51.70817
eV/atom
Energy above Hull
0.0117
eV/atom
Uncorrected Energy
-51.7082
eV/atom
Volume/atom
15.25
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
283.476
GPa
GVRH
112.353
GPa
Young's Modulus E
297.725
GPa
Poisson Ratio ν
0.325
Pugh Ratio K/G
2.523
Vickers Hardness Est.
7.724
GPa
Ductility
Brittle
Anisotropy
0.657
Lame λ
208.574
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.714
Family
Binary Alloy
Matrix Element
Pt · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.6570
Homogeneous Poisson ν
0.3250
Debye Temperature
311.6
K
Sound Velocity
2,595.6
m/s
Homogeneity
0.3250

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-862798
Reference Citation

The crystal structure and related material properties of Pt3W were obtained from the Materials Project database (MP-ID: mp-862798, 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_Pt3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87193202
_cell_length_b   4.87193202
_cell_length_c   4.87193202
_cell_angle_alpha   132.86594696
_cell_angle_beta   132.86594696
_cell_angle_gamma   68.86474863
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3W
_chemical_formula_sum   'Pt3 W1'
_cell_volume   60.98762600
_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
  Pt  Pt0  1  0.75000000  0.25000000  0.50000000  1.0
  Pt  Pt1  1  0.25000000  0.75000000  0.50000000  1.0
  Pt  Pt2  1  0.50000000  0.50000000  0.00000000  1.0
  W  W3  1  -0.00000000  0.00000000  0.00000000  1.0
Get direct link