Navigation

HEAS Data Platform · Materials Science Database

Pr2TeO2

Elasticity Data ELA

MP-ID: mp-16032 · Space group: I4/mmm (#139)

Basic Information

Formula
Pr2TeO2
MP-ID
mp-16032
Elements
3
Sites
5
Density
6.7120
g/cm³
Volume
109.21
ų
Cell a
4.0931
Å
Cell b
4.0931
Å
Cell c
7.1320
Å
α Angle
106.68
°
β Angle
106.68
°
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
13.58 6.5184 1.4 (0,0,1)
29.99 2.9795 33.3 (0,1,1)
29.99 2.9795 100.0 (1,0,1)
30.90 2.8943 52.3 (1,-1,0)
41.56 2.1728 11.2 (0,0,3)
41.74 2.1641 2.1 (1,1,1)
44.26 2.0466 26.8 (2,0,-1)
52.68 1.7376 22.7 (1,1,2)
52.68 1.7376 7.6 (1,1,-4)
54.39 1.6869 24.9 (2,-1,1)
54.39 1.6869 18.7 (2,1,0)
54.39 1.6869 6.2 (2,1,-3)
62.33 1.4898 3.5 (0,2,2)
62.33 1.4898 3.5 (2,0,2)
62.33 1.4898 3.5 (0,2,-4)
62.33 1.4898 3.5 (2,0,-4)
64.38 1.4471 4.3 (2,-2,0)
64.38 1.4471 4.3 (2,2,-2)
68.74 1.3655 5.5 (1,0,4)
68.74 1.3655 5.5 (1,0,-5)
72.63 1.3017 2.6 (0,3,0)
72.63 1.3017 5.2 (0,3,-3)
72.63 1.3017 2.6 (3,0,-3)
73.11 1.2944 2.3 (1,-3,1)
Get direct link

Energy Properties

Formation Energy/atom
-3.13087
eV/atom
Energy/atom
-7.65690
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.4059
eV/atom
Volume/atom
21.84
ų
c/a Ratio
1.7424

Electronic Properties

Metallic
Non-metal
Band Gap
1.654
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
70.350
GPa
GVRH
34.028
GPa
Young's Modulus E
87.910
GPa
Poisson Ratio ν
0.292
Pugh Ratio K/G
2.067
Vickers Hardness Est.
3.731
GPa
Ductility
Brittle
Anisotropy
1.275
Lame λ
47.665
GPa

Feature Analysis

Composition Overview

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

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.2750
Homogeneous Poisson ν
0.2920
Homogeneity
0.2920

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-16032
Reference Citation

The crystal structure and related material properties of Pr2TeO2 were obtained from the Materials Project database (MP-ID: mp-16032, 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_Pr2TeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09310703
_cell_length_b   4.09310783
_cell_length_c   7.13201529
_cell_angle_alpha   106.67561470
_cell_angle_beta   106.67561337
_cell_angle_gamma   90.00000828
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2TeO2
_chemical_formula_sum   'Pr2 Te1 O2'
_cell_volume   109.20536758
_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
  Pr  Pr0  1  0.65957483  0.65957483  0.31915165  1.0
  Pr  Pr1  1  0.34042517  0.34042517  0.68084835  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
Get direct link