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HEAS Data Platform · Materials Science Database

Sm2TeO2

Elasticity Data ELA

MP-ID: mp-16033 · Space group: I4/mmm (#139)

Basic Information

Formula
Sm2TeO2
MP-ID
mp-16033
Elements
3
Sites
5
Density
7.4820
g/cm³
Volume
102.16
ų
Cell a
4.0051
Å
Cell b
4.0051
Å
Cell c
6.9702
Å
α Angle
106.70
°
β Angle
106.70
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
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
13.90 6.3690 2.3 (0,0,1)
23.28 3.8207 1.3 (1,0,-1)
30.69 2.9135 33.3 (0,1,1)
30.69 2.9135 100.0 (1,0,1)
31.59 2.8320 52.6 (1,-1,0)
42.58 2.1230 11.3 (0,0,3)
42.73 2.1162 2.0 (1,1,1)
45.28 2.0025 13.2 (0,2,-1)
45.28 2.0025 13.2 (2,0,-1)
53.98 1.6987 15.1 (1,1,2)
53.98 1.6987 15.1 (1,-1,3)
55.70 1.6503 18.5 (2,1,0)
55.70 1.6503 30.9 (2,-1,-2)
63.90 1.4567 3.5 (0,2,2)
63.90 1.4567 3.5 (2,0,2)
63.90 1.4567 7.0 (2,0,-4)
65.97 1.4160 8.4 (2,-2,0)
70.58 1.3345 5.6 (1,0,4)
70.58 1.3345 5.6 (1,0,-5)
74.51 1.2736 2.6 (0,3,0)
74.51 1.2736 2.6 (0,3,-3)
74.51 1.2736 5.2 (3,0,0)
74.99 1.2665 4.6 (1,-3,1)
74.99 1.2665 4.6 (3,-1,-1)
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Energy Properties

Formation Energy/atom
-3.19408
eV/atom
Energy/atom
-7.68936
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.6050
eV/atom
Volume/atom
20.43
ų
c/a Ratio
1.7404

Electronic Properties

Metallic
Non-metal
Band Gap
1.489
eV
Direct Gap
No
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
75.322
GPa
GVRH
36.804
GPa
Young's Modulus E
94.948
GPa
Poisson Ratio ν
0.290
Pugh Ratio K/G
2.047
Vickers Hardness Est.
4.131
GPa
Ductility
Brittle
Anisotropy
1.369
Lame λ
50.786
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sm · 0.400
Element Family
Lanthanide
Solute Fraction
0.600
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.3690
Homogeneous Poisson ν
0.2900
Homogeneity
0.2900

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-16033
Reference Citation

The crystal structure and related material properties of Sm2TeO2 were obtained from the Materials Project database (MP-ID: mp-16033, 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_Sm2TeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00505994
_cell_length_b   4.00506038
_cell_length_c   6.97023530
_cell_angle_alpha   106.69621172
_cell_angle_beta   106.69621428
_cell_angle_gamma   90.00000196
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2TeO2
_chemical_formula_sum   'Sm2 Te1 O2'
_cell_volume   102.16170203
_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
  Sm  Sm0  1  0.66088033  0.66088033  0.32176067  1.0
  Sm  Sm1  1  0.33911967  0.33911967  0.67823933  1.0
  Te  Te2  1  -0.00000000  0.00000000  -0.00000000  1.0
  O  O3  1  0.25000000  0.75000000  0.50000000  1.0
  O  O4  1  0.75000000  0.25000000  0.50000000  1.0
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