Sm2O3

Elasticity Data ELA

MP-ID: mp-218 · Space group: Ia-3 (#206)

Materials Project API

Basic Information

Formula

Sm2O3

MP-ID

mp-218

Elements

Sites

Density

7.0795

g/cm³

Volume

654.35

Å³

Cell a

9.4728

Cell b

9.4728

Cell c

9.4728

α Angle

109.47

β Angle

109.47

γ Angle

109.47

Space Group

Ia-3

Point Group

m-3

Crystal System

Cubic

Bravais Lattice

Cubic I

Stability

Yes

Packing Fraction

0.6800

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
19.88	4.4655	9.3	(1,1,0)
28.26	3.1576	100.0	(1,1,1)
30.58	2.9234	1.5	(2,1,0)
32.75	2.7346	34.2	(2,2,-2)
34.80	2.5782	5.4	(2,2,-1)
38.61	2.3320	2.1	(2,1,1)
38.61	2.3320	1.5	(4,-1,-2)
42.12	2.1452	4.8	(3,1,0)
42.12	2.1452	2.9	(3,2,-2)
45.42	1.9970	2.0	(4,1,-2)
46.99	1.9336	40.1	(4,0,0)
48.53	1.8759	2.3	(2,2,1)
51.50	1.7744	5.0	(3,2,0)
54.36	1.6878	2.8	(5,0,-1)
55.75	1.6490	8.3	(3,-1,3)
55.75	1.6490	24.8	(5,1,-3)
57.11	1.6128	5.9	(4,2,-1)
58.46	1.5788	6.8	(2,2,2)
59.78	1.5469	1.7	(6,-1,-3)
61.09	1.5169	1.2	(5,1,-1)
62.39	1.4885	2.5	(3,3,0)
63.66	1.4617	1.3	(4,2,0)
67.42	1.3892	2.7	(4,3,-1)
68.64	1.3673	4.7	(4,4,-4)

Get direct link

Energy Properties

Formation Energy/atom

-3.86195

eV/atom

Energy/atom

-8.71816

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.2279

eV/atom

Volume/atom

16.36

Å³

c/a Ratio

Electronic Properties

Metallic

Non-metal

Band Gap

3.782

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

130.350

GPa

G_VRH

55.209

GPa

Young's Modulus E

145.136

GPa

Poisson Ratio ν

0.314

Pugh Ratio K/G

2.361

Vickers Hardness Est.

4.649

GPa

Ductility

Brittle

Anisotropy

0.110

Lame λ

93.544

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 A^U

0.1100

Homogeneous Poisson ν

0.3140

Homogeneity

0.3140

Related Tasks

Related computation task IDs (3)

aaabooya aaadtuhj aaaelwqe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-218

Reference Citation

The crystal structure and related material properties of Sm2O3 were obtained from the Materials Project database (MP-ID: mp-218, 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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Sm2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47279338
_cell_length_b   9.47279364
_cell_length_c   9.47279343
_cell_angle_alpha   109.47121799
_cell_angle_beta   109.47121856
_cell_angle_gamma   109.47122214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2O3
_chemical_formula_sum   'Sm16 O24'
_cell_volume   654.35335668
_cell_formula_units_Z   8
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  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.00000000  -0.00000000  0.50000000  1.0
  Sm  Sm2  1  0.50000000  -0.00000000  0.00000000  1.0
  Sm  Sm3  1  0.00000000  0.50000000  0.00000000  1.0
  Sm  Sm4  1  0.25000000  0.21891861  0.96891861  1.0
  Sm  Sm5  1  0.28108139  0.53108139  0.75000000  1.0
  Sm  Sm6  1  0.53108139  0.75000000  0.28108139  1.0
  Sm  Sm7  1  0.21891861  0.96891861  0.25000000  1.0
  Sm  Sm8  1  0.96891861  0.25000000  0.21891861  1.0
  Sm  Sm9  1  0.75000000  0.28108139  0.53108139  1.0
  Sm  Sm10  1  0.75000000  0.78108139  0.03108139  1.0
  Sm  Sm11  1  0.71891861  0.46891861  0.25000000  1.0
  Sm  Sm12  1  0.46891861  0.25000000  0.71891861  1.0
  Sm  Sm13  1  0.78108139  0.03108139  0.75000000  1.0
  Sm  Sm14  1  0.03108139  0.75000000  0.78108139  1.0
  Sm  Sm15  1  0.25000000  0.71891861  0.46891861  1.0
  O  O16  1  0.52884340  0.76969486  0.54115159  1.0
  O  O17  1  0.98769181  0.95884841  0.72854327  1.0
  O  O18  1  0.25914855  0.77145673  0.73030514  1.0
  O  O19  1  0.51230819  0.24085145  0.97115660  1.0
  O  O20  1  0.95884841  0.72854327  0.98769181  1.0
  O  O21  1  0.73030514  0.25914855  0.77145673  1.0
  O  O22  1  0.24085145  0.97115660  0.51230819  1.0
  O  O23  1  0.54115159  0.52884340  0.76969486  1.0
  O  O24  1  0.76969486  0.54115159  0.52884340  1.0
  O  O25  1  0.72854327  0.98769181  0.95884841  1.0
  O  O26  1  0.77145673  0.73030514  0.25914855  1.0
  O  O27  1  0.97115660  0.51230819  0.24085145  1.0
  O  O28  1  0.47115660  0.23030514  0.45884841  1.0
  O  O29  1  0.01230819  0.04115159  0.27145673  1.0
  O  O30  1  0.74085145  0.22854327  0.26969486  1.0
  O  O31  1  0.48769181  0.75914855  0.02884340  1.0
  O  O32  1  0.04115159  0.27145673  0.01230819  1.0
  O  O33  1  0.26969486  0.74085145  0.22854327  1.0
  O  O34  1  0.75914855  0.02884340  0.48769181  1.0
  O  O35  1  0.45884841  0.47115660  0.23030514  1.0
  O  O36  1  0.23030514  0.45884841  0.47115660  1.0
  O  O37  1  0.27145673  0.01230819  0.04115159  1.0
  O  O38  1  0.22854327  0.26969486  0.74085145  1.0
  O  O39  1  0.02884340  0.48769181  0.75914855  1.0

Get direct link