Navigation

HEAS Data Platform · Materials Science Database

U2Te2PO

High-Entropy Materials HEA

MP-ID: mp-1095312 · Space group: Cm (#8)

Basic Information

Formula
U2Te2PO
MP-ID
mp-1095312
Elements
4
Sites
12
Density
8.8225
g/cm³
Volume
292.95
ų
Cell a
19.2932
Å
Cell b
19.2932
Å
Cell c
3.9104
Å
α Angle
84.20
°
β Angle
84.20
°
γ Angle
163.51
°
Space Group
Cm
Point Group
m
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
4.63 19.0938 5.2 (1,-1,0)
9.26 9.5469 65.0 (2,-2,0)
13.91 6.3646 17.9 (3,-3,0)
18.59 4.7735 41.5 (4,-4,0)
22.78 3.9030 9.1 (1,0,0)
22.86 3.8901 9.3 (1,0,1)
23.73 3.7495 12.5 (2,-1,0)
23.80 3.7380 12.9 (2,-1,1)
25.52 3.4900 2.7 (3,-2,0)
28.01 3.1853 19.4 (4,-3,0)
28.04 3.1823 1.4 (6,-6,0)
28.08 3.1782 17.9 (4,-3,1)
31.04 2.8807 91.4 (5,-4,0)
31.10 2.8755 100.0 (5,-4,1)
32.28 2.7733 55.8 (0,0,1)
32.37 2.7661 50.0 (1,1,1)
32.63 2.7445 4.1 (1,-1,1)
32.71 2.7375 9.6 (2,0,1)
33.65 2.6632 1.3 (2,-2,1)
33.74 2.6569 1.6 (3,-1,1)
34.50 2.6000 9.3 (6,-5,0)
34.55 2.5961 1.2 (6,-5,1)
35.30 2.5424 6.4 (3,-3,1)
35.38 2.5369 7.4 (4,-2,1)
Get direct link

Energy Properties

Formation Energy/atom
-1.49573
eV/atom
Energy/atom
-8.03454
eV/atom
Energy above Hull
0.1349
eV/atom
Uncorrected Energy
-7.9200
eV/atom
Volume/atom
24.41
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
7.5487
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.025770
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
U · 0.333
Element Family
Actinide
Solute Fraction
0.667
Interstitial Fraction
0.167

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0548
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
29.817%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6881
smaller = more stable mixing
VEC
4.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9591
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1095312
Reference Citation

The crystal structure and related material properties of U2Te2PO were obtained from the Materials Project database (MP-ID: mp-1095312, 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_U2Te2PO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.29314894
_cell_length_b   19.29314894
_cell_length_c   3.91040066
_cell_angle_alpha   84.19876729
_cell_angle_beta   84.19876729
_cell_angle_gamma   163.51372272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U2Te2PO
_chemical_formula_sum   'U4 Te4 P2 O2'
_cell_volume   292.95142729
_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
  U  U0  1  0.28011700  0.71537400  0.00546100  1.0
  U  U1  1  0.71537400  0.28011700  0.00546100  1.0
  U  U2  1  0.94440500  0.84475000  0.08267900  1.0
  U  U3  1  0.84475000  0.94440500  0.08267900  1.0
  Te  Te4  1  0.16833400  0.82008300  0.00844200  1.0
  Te  Te5  1  0.82008300  0.16833400  0.00844200  1.0
  Te  Te6  1  0.30899500  0.48351900  0.08204800  1.0
  Te  Te7  1  0.48351900  0.30899500  0.08204800  1.0
  P  P8  1  0.39294700  0.39294700  0.58309300  1.0
  P  P9  1  0.88727500  0.88727500  0.59039600  1.0
  O  O10  1  0.74845500  0.24834500  0.50572600  1.0
  O  O11  1  0.24834500  0.74845500  0.50572600  1.0
Get direct link