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Sm2O3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-684768 · Space group: Pn-3m (#224)

Basic Information

Formula
Sm2O3
MP-ID
mp-684768
Elements
2
Sites
10
Density
7.1267
g/cm³
Volume
162.50
ų
Cell a
5.4570
Å
Cell b
5.4570
Å
Cell c
5.4570
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pn-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic P
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 9)
2θd (Å)Ihkl
28.33 3.1506 100.0 (1,1,1)
32.82 2.7285 35.1 (2,0,0)
47.10 1.9294 49.4 (2,2,0)
55.88 1.6454 45.0 (3,1,1)
58.60 1.5753 9.7 (2,2,2)
68.82 1.3643 7.6 (4,0,0)
76.02 1.2519 18.1 (3,3,1)
78.36 1.2202 13.1 (4,2,0)
87.59 1.1139 15.9 (4,2,2)
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Energy Properties

Formation Energy/atom
-3.41271
eV/atom
Energy/atom
-8.26892
eV/atom
Energy above Hull
0.4492
eV/atom
Uncorrected Energy
-7.8567
eV/atom
Volume/atom
16.25
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
126.271
GPa
GVRH
52.094
GPa
Young's Modulus E
137.388
GPa
Poisson Ratio ν
0.319
Pugh Ratio K/G
2.424
Vickers Hardness Est.
4.169
GPa
Ductility
Brittle
Anisotropy
0.081
Lame λ
91.542
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.387
Family
Binary Alloy
Matrix Element
O · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0810
Homogeneous Poisson ν
0.3190
Homogeneity
0.3190

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-684768
Reference Citation

The crystal structure and related material properties of Sm2O3 were obtained from the Materials Project database (MP-ID: mp-684768, 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_Sm2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45702000
_cell_length_b   5.45702000
_cell_length_c   5.45702000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2O3
_chemical_formula_sum   'Sm4 O6'
_cell_volume   162.50496573
_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
  Sm  Sm0  1  0.75000000  0.75000000  0.25000000  1.0
  Sm  Sm1  1  0.25000000  0.75000000  0.75000000  1.0
  Sm  Sm2  1  0.75000000  0.25000000  0.75000000  1.0
  Sm  Sm3  1  0.25000000  0.25000000  0.25000000  1.0
  O  O4  1  0.50000000  0.00000000  0.00000000  1.0
  O  O5  1  0.00000000  0.00000000  0.50000000  1.0
  O  O6  1  0.50000000  0.00000000  0.50000000  1.0
  O  O7  1  0.50000000  0.50000000  0.00000000  1.0
  O  O8  1  0.00000000  0.50000000  0.00000000  1.0
  O  O9  1  0.00000000  0.50000000  0.50000000  1.0
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