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Te2O5

Elasticity Data ELA

MP-ID: mp-12177 · Space group: P2_1 (#4)

Basic Information

Formula
Te2O5
MP-ID
mp-12177
Elements
2
Sites
14
Density
5.6550
g/cm³
Volume
196.85
ų
Cell a
4.7166
Å
Cell b
5.3975
Å
Cell c
7.9754
Å
α Angle
104.18
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.44 7.7325 18.1 (0,0,1)
16.94 5.2331 19.8 (0,1,0)
22.08 4.0267 21.2 (1,0,1)
22.73 3.9120 29.7 (0,1,1)
23.00 3.8663 21.2 (0,0,2)
25.06 3.5532 5.1 (0,1,-2)
25.42 3.5036 18.5 (1,1,0)
26.15 3.4083 100.0 (1,1,-1)
29.67 3.0111 19.5 (1,1,1)
29.88 2.9901 28.1 (1,0,2)
31.52 2.8380 7.9 (1,1,-2)
31.97 2.7992 4.8 (0,1,2)
34.27 2.6166 8.0 (0,2,0)
34.81 2.5775 10.7 (0,0,3)
34.83 2.5758 7.1 (0,1,-3)
36.45 2.4653 19.0 (0,2,-2)
37.36 2.4072 23.6 (1,1,2)
38.16 2.3583 7.8 (2,0,0)
38.57 2.3343 1.9 (1,2,-1)
38.95 2.3125 7.0 (0,2,1)
39.38 2.2881 6.3 (1,2,0)
39.86 2.2618 1.5 (1,0,3)
39.88 2.2607 5.8 (1,1,-3)
39.97 2.2557 6.1 (2,0,1)
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Energy Properties

Formation Energy/atom
-1.41787
eV/atom
Energy/atom
-5.85021
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-12.5801
eV/atom
Volume/atom
14.06
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.682
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
47.587
GPa
GVRH
39.669
GPa
Young's Modulus E
93.129
GPa
Poisson Ratio ν
0.174
Pugh Ratio K/G
1.200
Vickers Hardness Est.
10.920
GPa
Ductility
Ductile
Anisotropy
2.971
Lame λ
21.141
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.714
Element Family
Metalloid-Nonmetal
Solute Fraction
0.286
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.9710
Homogeneous Poisson ν
0.1740
Homogeneity
0.1740

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-12177
Reference Citation

The crystal structure and related material properties of Te2O5 were obtained from the Materials Project database (MP-ID: mp-12177, 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_Te2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71663094
_cell_length_b   5.39747983
_cell_length_c   7.97540373
_cell_angle_alpha   104.17648174
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2O5
_chemical_formula_sum   'Te4 O10'
_cell_volume   196.85389011
_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
  Te  Te0  1  0.88504362  0.14025698  0.37981008  1.0
  Te  Te1  1  0.38504362  0.85974302  0.62018992  1.0
  Te  Te2  1  0.49295799  0.25672659  0.01123471  1.0
  Te  Te3  1  0.99295799  0.74327341  0.98876529  1.0
  O  O4  1  0.03920029  0.87460737  0.50762267  1.0
  O  O5  1  0.53920029  0.12539263  0.49237733  1.0
  O  O6  1  0.17286417  0.66462709  0.77431710  1.0
  O  O7  1  0.67286417  0.33537291  0.22568290  1.0
  O  O8  1  0.79730135  0.83494152  0.20648506  1.0
  O  O9  1  0.29730135  0.16505848  0.79351494  1.0
  O  O10  1  0.73124156  0.96532694  0.90213068  1.0
  O  O11  1  0.23124156  0.03467306  0.09786932  1.0
  O  O12  1  0.73289902  0.46790188  0.90741797  1.0
  O  O13  1  0.23289902  0.53209812  0.09258203  1.0
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