Navigation

HEAS Data Platform · Materials Science Database

Pu2Pt

Traditional Materials TRA

MP-ID: mp-615820 · Space group: P2_1/m (#11)

Basic Information

Formula
Pu2Pt
MP-ID
mp-615820
Elements
2
Sites
12
Density
15.5670
g/cm³
Volume
291.46
ų
Cell a
4.6389
Å
Cell b
7.0024
Å
Cell c
8.9740
Å
α Angle
88.95
°
β Angle
89.99
°
γ Angle
90.00
°
Space Group
P2_1/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
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
19.79 4.4863 1.3 (0,0,2)
25.44 3.5006 1.6 (0,2,0)
27.17 3.2816 3.0 (0,2,1)
27.52 3.2412 4.0 (0,2,-1)
30.36 2.9439 32.2 (1,1,2)
30.36 2.9437 32.2 (1,-1,-2)
30.67 2.9148 33.5 (1,-1,2)
30.68 2.9144 33.4 (1,1,-2)
32.03 2.7944 34.2 (1,-2,0)
32.03 2.7942 34.2 (1,2,0)
32.14 2.7846 24.8 (0,2,2)
32.33 2.7687 21.1 (0,1,3)
32.74 2.7357 21.6 (0,2,-2)
32.78 2.7324 19.3 (0,1,-3)
33.45 2.6790 42.8 (1,-2,-1)
33.45 2.6790 42.8 (1,2,1)
33.73 2.6571 44.8 (1,-2,1)
33.74 2.6568 44.8 (1,2,-1)
35.72 2.5138 65.0 (1,0,3)
35.72 2.5135 65.0 (1,0,-3)
37.68 2.3875 2.4 (1,2,2)
37.68 2.3875 2.4 (1,-2,-2)
37.84 2.3776 2.2 (1,1,3)
37.84 2.3774 2.2 (1,-1,-3)
Get direct link

Energy Properties

Formation Energy/atom
-0.05960
eV/atom
Energy/atom
-11.90860
eV/atom
Energy above Hull
0.3077
eV/atom
Uncorrected Energy
-11.9086
eV/atom
Volume/atom
24.29
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
40.5200
μB
Mag. Ordering
FM
Mag. Sites
7
Magnetization/Volume
0.139020
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pu · 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
0.503
Family
Binary Alloy
Matrix Element
Pu · 0.667

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-615820
Reference Citation

The crystal structure and related material properties of Pu2Pt were obtained from the Materials Project database (MP-ID: mp-615820, 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_Pu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63892801
_cell_length_b   7.00238146
_cell_length_c   8.97401026
_cell_angle_alpha   88.95318804
_cell_angle_beta   89.99273471
_cell_angle_gamma   90.00343278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pu2Pt
_chemical_formula_sum   'Pu8 Pt4'
_cell_volume   291.45899787
_cell_formula_units_Z   4
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
  Pu  Pu0  1  0.74993000  0.65091800  0.58113500  1.0
  Pu  Pu1  1  0.24996700  0.84324300  0.08077600  1.0
  Pu  Pu2  1  0.24993400  0.98146200  0.68170100  1.0
  Pu  Pu3  1  0.74994700  0.01713700  0.32206200  1.0
  Pu  Pu4  1  0.25014300  0.48391000  0.81672800  1.0
  Pu  Pu5  1  0.75002400  0.51800800  0.17820300  1.0
  Pu  Pu6  1  0.75008300  0.15858200  0.91919000  1.0
  Pu  Pu7  1  0.24997700  0.34558200  0.41817100  1.0
  Pt  Pt8  1  0.74987300  0.23393000  0.59925700  1.0
  Pt  Pt9  1  0.75013000  0.74080300  0.89919100  1.0
  Pt  Pt10  1  0.24999800  0.76319300  0.40214200  1.0
  Pt  Pt11  1  0.24999600  0.26323300  0.10144600  1.0
Get direct link