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Lu2O3

Elasticity Data ELA

MP-ID: mp-13068 · Space group: P-3m1 (#164)

Basic Information

Formula
Lu2O3
MP-ID
mp-13068
Elements
2
Sites
5
Density
10.7346
g/cm³
Volume
61.56
ų
Cell a
3.5316
Å
Cell b
3.5316
Å
Cell c
5.6990
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal P
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
29.20 3.0585 27.2 (1,0,-1,0)
31.39 2.8495 28.7 (0,0,0,2)
33.25 2.6949 100.0 (1,0,-1,1)
43.40 2.0849 7.9 (0,1,-1,2)
43.40 2.0849 15.7 (1,0,-1,2)
51.77 1.7658 18.9 (1,1,-2,0)
51.77 1.7658 9.5 (2,-1,-1,0)
57.07 1.6137 8.9 (0,1,-1,3)
57.07 1.6137 17.8 (1,0,-1,3)
60.55 1.5292 1.2 (0,2,-2,0)
60.55 1.5292 2.3 (2,0,-2,0)
61.81 1.5010 25.6 (2,-1,-1,2)
62.93 1.4770 5.6 (0,2,-2,1)
62.93 1.4770 11.2 (2,0,-2,1)
65.52 1.4247 3.5 (0,0,0,4)
69.80 1.3475 1.8 (0,2,-2,2)
69.80 1.3475 3.7 (2,0,-2,2)
73.30 1.2915 1.0 (0,1,-1,4)
73.30 1.2915 2.1 (1,0,-1,4)
80.66 1.1912 3.3 (0,2,-2,3)
80.66 1.1912 6.6 (2,0,-2,3)
83.66 1.1560 1.9 (2,1,-3,0)
85.76 1.1329 9.9 (2,1,-3,1)
85.76 1.1329 5.0 (3,-1,-2,1)
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Energy Properties

Formation Energy/atom
-4.03962
eV/atom
Energy/atom
-8.81708
eV/atom
Energy above Hull
0.0842
eV/atom
Uncorrected Energy
-22.7940
eV/atom
Volume/atom
12.31
ų
c/a Ratio
1.6137

Electronic Properties

Metallic
Non-metal
Band Gap
4.088
eV
Direct Gap
Yes
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
155.662
GPa
GVRH
47.365
GPa
Young's Modulus E
129.010
GPa
Poisson Ratio ν
0.362
Pugh Ratio K/G
3.286
Vickers Hardness Est.
1.749
GPa
Ductility
Brittle
Anisotropy
10.434
Lame λ
124.085
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
10.4340
Homogeneous Poisson ν
0.3620
Homogeneity
0.3620

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-13068
Reference Citation

The crystal structure and related material properties of Lu2O3 were obtained from the Materials Project database (MP-ID: mp-13068, 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_Lu2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53161322
_cell_length_b   3.53161377
_cell_length_c   5.69896531
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999485
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2O3
_chemical_formula_sum   'Lu2 O3'
_cell_volume   61.55637022
_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
  Lu  Lu0  1  0.66666700  0.33333300  0.74992359  1.0
  Lu  Lu1  1  0.33333300  0.66666700  0.25007641  1.0
  O  O2  1  0.66666700  0.33333300  0.35356328  1.0
  O  O3  1  0.33333300  0.66666700  0.64643672  1.0
  O  O4  1  -0.00000000  0.00000000  0.00000000  1.0
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