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U2Pa2Ga12Pt

High-Entropy Materials HEA

MP-ID: mp-3254302 · Space group: Fmmm (#69)

Basic Information

Formula
U2Pa2Ga12Pt
MP-ID
mp-3254302
Elements
4
Sites
17
Density
10.2237
g/cm³
Volume
319.95
ų
Cell a
7.4893
Å
Cell b
7.4361
Å
Cell c
7.4367
Å
α Angle
109.04
°
β Angle
109.54
°
γ Angle
109.54
°
Space Group
Fmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic F
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 24)
2θd (Å)Ihkl
14.47 6.1206 3.5 (1,0,0)
14.53 6.0961 4.1 (0,0,1)
14.53 6.0960 4.1 (1,0,-1)
14.53 6.0958 4.0 (0,1,0)
14.53 6.0957 4.0 (1,-1,0)
14.63 6.0557 4.3 (0,1,-1)
20.58 4.3162 25.3 (1,-1,-1)
20.63 4.3048 25.1 (1,-1,1)
20.63 4.3048 25.1 (1,1,-1)
25.24 3.5290 1.8 (1,0,1)
25.24 3.5290 1.8 (2,0,-1)
25.24 3.5289 1.8 (1,1,0)
25.24 3.5289 1.8 (2,-1,0)
25.25 3.5274 1.7 (0,1,1)
25.25 3.5273 1.7 (2,-1,-1)
25.34 3.5149 1.8 (1,0,-2)
25.34 3.5146 1.8 (1,-2,0)
25.42 3.5040 1.8 (0,1,-2)
25.42 3.5040 1.8 (1,1,-2)
25.42 3.5038 1.8 (0,2,-1)
25.42 3.5038 1.8 (1,-2,1)
29.18 3.0603 53.7 (2,0,0)
29.30 3.0481 52.6 (0,0,2)
29.30 3.0480 52.6 (2,0,-2)
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Energy Properties

Formation Energy/atom
-0.41763
eV/atom
Energy/atom
-29.97041
eV/atom
Energy above Hull
0.0657
eV/atom
Uncorrected Energy
-29.9704
eV/atom
Volume/atom
18.82
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
1.4641
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.004580
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.706
Element Family
PostTransition-Noble
Solute Fraction
0.294
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9161
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.6162
J/mol·K
Ω Parameter
1.5169
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.368%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2062
smaller = more stable mixing
VEC
3.538
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.594
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6608
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3254302
Reference Citation

The crystal structure and related material properties of U2Pa2Ga12Pt were obtained from the Materials Project database (MP-ID: mp-3254302, 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_U2Pa2Ga12Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48932406
_cell_length_b   7.43613225
_cell_length_c   7.43670030
_cell_angle_alpha   109.04121630
_cell_angle_beta   109.54281222
_cell_angle_gamma   109.53990446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U2Pa2Ga12Pt
_chemical_formula_sum   'U2 Pa2 Ga12 Pt1'
_cell_volume   319.95070052
_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
  U  U0  1  0.50000000  0.50000000  0.50000000  1.0
  U  U1  1  0.50000000  0.00000000  0.00000000  1.0
  Pa  Pa2  1  0.00000000  0.50000000  0.00000000  1.0
  Pa  Pa3  1  0.00000000  0.00000000  0.50000000  1.0
  Ga  Ga4  1  0.74846014  0.24952843  0.49903151  1.0
  Ga  Ga5  1  0.00001221  0.70258423  0.70266084  1.0
  Ga  Ga6  1  0.29938273  0.00157552  0.29774490  1.0
  Ga  Ga7  1  0.50008592  0.25004087  0.75004475  1.0
  Ga  Ga8  1  0.74846263  0.49892048  0.24941948  1.0
  Ga  Ga9  1  0.25153986  0.75047157  0.50096849  1.0
  Ga  Ga10  1  0.25153737  0.50107952  0.75058052  1.0
  Ga  Ga11  1  0.70061727  0.99842448  0.70225510  1.0
  Ga  Ga12  1  0.49991408  0.74995913  0.24995525  1.0
  Ga  Ga13  1  0.70061657  0.70220491  0.99837901  1.0
  Ga  Ga14  1  0.29938343  0.29779509  0.00162099  1.0
  Ga  Ga15  1  0.99998779  0.29741577  0.29733916  1.0
  Pt  Pt16  1  0.00000000  0.00000000  0.00000000  1.0
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