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UCr3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-981233 · Space group: Fm-3m (#225)

Basic Information

Formula
UCr3
MP-ID
mp-981233
Elements
2
Sites
4
Density
11.5219
g/cm³
Volume
56.79
ų
Cell a
4.3144
Å
Cell b
4.3144
Å
Cell c
4.3144
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic 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 10)
2θd (Å)Ihkl
25.28 3.5227 48.5 (1,1,1)
29.27 3.0507 25.6 (1,1,0)
41.88 2.1572 100.0 (2,1,1)
49.55 1.8397 26.2 (2,2,1)
51.91 1.7613 7.7 (2,2,2)
60.72 1.5254 16.2 (2,2,0)
66.84 1.3998 11.6 (3,2,2)
68.81 1.3643 10.7 (3,2,1)
76.48 1.2455 33.0 (3,3,2)
82.07 1.1742 9.5 (3,3,1)
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Energy Properties

Formation Energy/atom
0.37016
eV/atom
Energy/atom
-30.92036
eV/atom
Energy above Hull
0.3702
eV/atom
Uncorrected Energy
-9.6925
eV/atom
Volume/atom
14.20
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
0.9462
μB
Mag. Ordering
FiM
Mag. Sites
4
Magnetization/Volume
0.016660
μB/ų

Elastic Properties

KVRH
177.103
GPa
GVRH
26.475
GPa
Young's Modulus E
75.655
GPa
Poisson Ratio ν
0.429
Pugh Ratio K/G
6.689
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.683
Lame λ
159.453
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 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
0.606
Family
Binary Alloy
Matrix Element
Cr · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.6830
Homogeneous Poisson ν
0.4290
Debye Temperature
288.4
K
Sound Velocity
1,722.7
m/s
Homogeneity
0.4290

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-981233
Reference Citation

The crystal structure and related material properties of UCr3 were obtained from the Materials Project database (MP-ID: mp-981233, 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_UCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31438657
_cell_length_b   4.31438657
_cell_length_c   4.31438657
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCr3
_chemical_formula_sum   'U1 Cr3'
_cell_volume   56.78611639
_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  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.75000000  0.75000000  0.75000000  1.0
  Cr  Cr2  1  0.25000000  0.25000000  0.25000000  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.50000000  1.0
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