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HEAS Data Platform · Materials Science Database

U2F9

Elasticity Data ELA

MP-ID: mp-20276 · Space group: I-43m (#217)

Basic Information

Formula
U2F9
MP-ID
mp-20276
Elements
2
Sites
22
Density
7.1512
g/cm³
Volume
300.49
ų
Cell a
7.3075
Å
Cell b
7.3072
Å
Cell c
7.3113
Å
α Angle
109.49
°
β Angle
109.49
°
γ Angle
109.44
°
Space Group
I-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
Cubic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.84 5.9689 10.8 (1,0,-1)
14.84 5.9687 10.7 (0,1,-1)
14.84 5.9677 11.0 (0,0,1)
14.85 5.9666 10.7 (1,0,0)
14.85 5.9664 10.8 (0,1,0)
14.85 5.9652 11.0 (1,-1,0)
21.05 4.2206 100.0 (1,1,-1)
21.06 4.2190 98.7 (1,-1,1)
21.06 4.2189 98.5 (1,-1,-1)
25.85 3.4468 36.7 (1,1,-2)
25.85 3.4461 37.2 (1,0,-2)
25.85 3.4461 37.2 (0,1,-2)
25.86 3.4455 36.6 (2,0,-1)
25.86 3.4453 36.6 (0,2,-1)
25.86 3.4450 36.6 (1,1,0)
25.86 3.4448 37.2 (1,0,1)
25.86 3.4447 37.1 (0,1,1)
25.86 3.4447 37.3 (2,-1,-1)
25.86 3.4447 37.0 (1,-2,1)
25.87 3.4443 37.0 (2,-1,0)
25.87 3.4442 37.2 (1,-2,0)
29.94 2.9844 12.7 (2,0,-2)
29.94 2.9844 12.7 (0,2,-2)
29.95 2.9839 12.5 (0,0,2)
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Energy Properties

Formation Energy/atom
-3.90141
eV/atom
Energy/atom
-7.52086
eV/atom
Energy above Hull
0.0149
eV/atom
Uncorrected Energy
-21.0072
eV/atom
Volume/atom
13.66
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
6.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.019970
μB/ų

Elastic Properties

KVRH
78.546
GPa
GVRH
42.193
GPa
Young's Modulus E
107.356
GPa
Poisson Ratio ν
0.272
Pugh Ratio K/G
1.862
Vickers Hardness Est.
5.630
GPa
Ductility
Brittle
Anisotropy
1.256
Lame λ
50.417
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
F · 0.818
Element Family
Metalloid-Nonmetal
Solute Fraction
0.182
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.2560
Homogeneous Poisson ν
0.2720
Homogeneity
0.2720

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-20276
Reference Citation

The crystal structure and related material properties of U2F9 were obtained from the Materials Project database (MP-ID: mp-20276, 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_U2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30748251
_cell_length_b   7.30715819
_cell_length_c   7.31125337
_cell_angle_alpha   109.49229477
_cell_angle_beta   109.49264653
_cell_angle_gamma   109.43817634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U2F9
_chemical_formula_sum   'U4 F18'
_cell_volume   300.49375380
_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  0.00028554  0.00069893  0.62484488  1.0
  U  U1  1  -0.00064144  0.62429333  -0.00058194  1.0
  U  U2  1  0.62460594  -0.00046136  -0.00002192  1.0
  U  U3  1  0.37572362  0.37522447  0.37472778  1.0
  F  F4  1  0.77310662  -0.00218191  0.77278481  1.0
  F  F5  1  0.22478281  -0.00013322  0.22716348  1.0
  F  F6  1  -0.00000489  0.22698281  0.22488931  1.0
  F  F7  1  0.00224307  0.77533217  0.77505538  1.0
  F  F8  1  0.65040708  0.65036629  0.41421162  1.0
  F  F9  1  0.34990685  0.76375693  -0.00007644  1.0
  F  F10  1  0.76396627  0.34991809  0.00013275  1.0
  F  F11  1  -0.00157224  0.76389809  0.34988643  1.0
  F  F12  1  0.58416918  0.23467039  0.23612237  1.0
  F  F13  1  0.23639476  0.58600158  0.23475217  1.0
  F  F14  1  0.76534108  0.00120117  0.34972792  1.0
  F  F15  1  0.35098337  0.00203288  0.76542715  1.0
  F  F16  1  -0.00172631  0.34755820  0.76354606  1.0
  F  F17  1  0.41432986  0.64906974  0.65069419  1.0
  F  F18  1  0.65192725  0.41572421  0.65064460  1.0
  F  F19  1  0.23585472  0.23590114  0.58618666  1.0
  F  F20  1  0.22692786  0.22714114  -0.00030819  1.0
  F  F21  1  0.77298899  0.77300492  0.00018692  1.0
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