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Ge2Te5As2

Elasticity Data ELA

MP-ID: mp-14791 · Space group: P-3m1 (#164)

Basic Information

Formula
Ge2Te5As2
MP-ID
mp-14791
Elements
3
Sites
9
Density
6.1717
g/cm³
Volume
251.07
ų
Cell a
4.1358
Å
Cell b
4.1354
Å
Cell c
16.9508
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal P
Stability
No
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
5.21 16.9508 10.9 (0,0,0,1)
10.44 8.4754 5.4 (0,0,0,2)
15.68 5.6503 3.9 (0,0,0,3)
20.96 4.2377 2.3 (0,0,0,4)
25.42 3.5042 1.3 (1,0,-1,1)
25.42 3.5042 1.3 (1,-1,0,-1)
25.42 3.5040 1.3 (0,1,-1,-1)
26.29 3.3902 19.8 (0,0,0,5)
27.03 3.2991 10.2 (1,0,-1,2)
27.03 3.2991 2.7 (1,-1,0,2)
27.03 3.2991 2.7 (1,0,-1,-2)
27.03 3.2991 10.2 (1,-1,0,-2)
27.03 3.2989 2.7 (0,1,-1,2)
27.03 3.2989 10.2 (0,1,-1,-2)
29.53 3.0251 1.6 (1,0,-1,3)
29.53 3.0251 100.0 (1,-1,0,3)
29.53 3.0250 1.6 (1,-1,0,-3)
29.53 3.0250 100.0 (1,0,-1,-3)
29.53 3.0249 99.9 (0,1,-1,3)
29.53 3.0249 1.6 (0,1,-1,-3)
32.74 2.7355 1.1 (1,0,-1,4)
32.74 2.7355 9.7 (1,-1,0,4)
32.74 2.7354 1.1 (1,-1,0,-4)
32.74 2.7354 9.7 (1,0,-1,-4)
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Energy Properties

Formation Energy/atom
0.00847
eV/atom
Energy/atom
-20.46322
eV/atom
Energy above Hull
0.0372
eV/atom
Uncorrected Energy
-20.4632
eV/atom
Volume/atom
27.90
ų
c/a Ratio
4.0986

Electronic Properties

Metallic
Non-metal
Band Gap
0.362
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
25.980
GPa
GVRH
21.480
GPa
Young's Modulus E
50.518
GPa
Poisson Ratio ν
0.176
Pugh Ratio K/G
1.209
Vickers Hardness Est.
6.630
GPa
Ductility
Ductile
Anisotropy
3.264
Lame λ
11.660
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.556
Element Family
Metalloid-Nonmetal
Solute Fraction
0.444
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
3.2640
Homogeneous Poisson ν
0.1760
Debye Temperature
374.8
K
Sound Velocity
2,054.4
m/s
Homogeneity
0.1760

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-14791
Reference Citation

The crystal structure and related material properties of Ge2Te5As2 were obtained from the Materials Project database (MP-ID: mp-14791, 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_Ge2Te5As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13575195
_cell_length_b   4.13543707
_cell_length_c   16.95077160
_cell_angle_alpha   89.99999693
_cell_angle_beta   89.99899985
_cell_angle_gamma   120.00219178
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Te5As2
_chemical_formula_sum   'Ge2 Te5 As2'
_cell_volume   251.06513768
_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
  Ge  Ge0  1  0.33331965  0.66659181  0.10495822  1.0
  Ge  Ge1  1  0.66667335  0.33339675  0.89501518  1.0
  Te  Te2  1  0.66666636  0.33333777  0.20658322  1.0
  Te  Te3  1  0.33341223  0.66661426  0.40676732  1.0
  Te  Te4  1  0.66682663  0.33363148  0.59319310  1.0
  Te  Te5  1  0.00031453  0.00020877  0.00002615  1.0
  Te  Te6  1  0.33334996  0.66669451  0.79340690  1.0
  As  As7  1  0.99951988  -0.00046674  0.31659253  1.0
  As  As8  1  -0.00008260  -0.00000862  0.68345638  1.0
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