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Na2UO4

Elasticity Data ELA

MP-ID: mp-7725 · Space group: I4/mmm (#139)

Basic Information

Formula
Na2UO4
MP-ID
mp-7725
Elements
3
Sites
7
Density
5.1388
g/cm³
Volume
112.45
ų
Cell a
6.6906
Å
Cell b
6.6906
Å
Cell c
6.6906
Å
α Angle
142.05
°
β Angle
142.05
°
γ Angle
54.75
°
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 24)
2θd (Å)Ihkl
14.91 5.9414 69.0 (1,1,-1)
21.75 4.0853 100.0 (1,0,-1)
29.03 3.0763 41.1 (1,-1,0)
30.08 2.9707 9.7 (2,2,-2)
30.52 2.9289 53.8 (2,1,-2)
32.78 2.7318 21.1 (2,0,-1)
41.51 2.1753 23.9 (1,-1,1)
42.29 2.1370 7.4 (3,1,-2)
43.39 2.0857 21.8 (3,2,-3)
44.35 2.0427 18.5 (2,0,-2)
45.82 1.9805 8.2 (3,3,-3)
47.35 1.9201 26.5 (2,-1,-1)
52.11 1.7551 8.7 (3,1,-3)
52.39 1.7463 25.4 (3,0,-2)
55.16 1.6652 12.7 (4,2,-3)
58.35 1.5814 6.3 (4,3,-4)
60.16 1.5382 7.6 (2,-2,0)
61.60 1.5055 15.7 (4,1,-3)
62.36 1.4891 6.8 (3,-1,-1)
62.53 1.4854 2.3 (4,4,-4)
63.53 1.4644 11.9 (4,2,-4)
64.76 1.4395 5.4 (2,-1,-2)
68.16 1.3758 7.4 (2,-2,1)
68.72 1.3659 4.0 (4,0,-2)
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Energy Properties

Formation Energy/atom
-2.96201
eV/atom
Energy/atom
-7.78583
eV/atom
Energy above Hull
0.0608
eV/atom
Uncorrected Energy
-7.3933
eV/atom
Volume/atom
16.06
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
2.042
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0098
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000090
μB/ų

Elastic Properties

KVRH
70.652
GPa
GVRH
33.502
GPa
Young's Modulus E
86.788
GPa
Poisson Ratio ν
0.295
Pugh Ratio K/G
2.109
Vickers Hardness Est.
3.517
GPa
Ductility
Brittle
Anisotropy
1.210
Lame λ
48.317
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.2100
Homogeneous Poisson ν
0.2950
Debye Temperature
660.1
K
Sound Velocity
2,850.3
m/s
Homogeneity
0.2950

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-7725
Reference Citation

The crystal structure and related material properties of Na2UO4 were obtained from the Materials Project database (MP-ID: mp-7725, 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_Na2UO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69060860
_cell_length_b   6.69060860
_cell_length_c   6.69060860
_cell_angle_alpha   142.05399550
_cell_angle_beta   142.05399550
_cell_angle_gamma   54.74747314
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2UO4
_chemical_formula_sum   'Na2 U1 O4'
_cell_volume   112.45453052
_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
  Na  Na0  1  0.64717700  0.64717700  0.00000000  1.0
  Na  Na1  1  0.35282300  0.35282300  0.00000000  1.0
  U  U2  1  0.00000000  0.00000000  0.00000000  1.0
  O  O3  1  0.50000000  0.00000000  0.50000000  1.0
  O  O4  1  0.00000000  0.50000000  0.50000000  1.0
  O  O5  1  0.83753600  0.83753600  0.00000000  1.0
  O  O6  1  0.16246400  0.16246400  0.00000000  1.0
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