Navigation

HEAS Data Platform · Materials Science Database

Ag3Ge5P6

Elasticity Data ELA

MP-ID: mp-17862 · Space group: I-43m (#217)

Basic Information

Formula
Ag3Ge5P6
MP-ID
mp-17862
Elements
3
Sites
28
Density
5.2206
g/cm³
Volume
555.13
ų
Cell a
8.9675
Å
Cell b
8.9675
Å
Cell c
8.9675
Å
α Angle
109.47
°
β Angle
109.47
°
γ Angle
109.47
°
Space Group
I-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
Cubic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.09 7.3220 9.0 (1,-1,0)
12.09 7.3220 35.9 (1,0,-1)
12.09 7.3219 9.0 (0,0,1)
17.13 5.1774 3.7 (1,1,-1)
17.13 5.1774 1.9 (1,-1,1)
21.02 4.2273 1.1 (2,-1,-1)
21.02 4.2273 6.4 (1,1,-2)
21.02 4.2273 3.2 (1,0,-2)
21.02 4.2273 2.1 (1,0,1)
29.89 2.9892 100.0 (3,-1,-1)
29.89 2.9892 50.0 (1,1,-3)
29.89 2.9892 50.0 (1,1,1)
32.35 2.7674 8.1 (3,0,-2)
32.35 2.7674 4.1 (3,0,-1)
32.35 2.7674 4.1 (1,0,-3)
32.35 2.7674 2.4 (2,0,1)
34.65 2.5887 25.1 (2,2,-2)
34.65 2.5887 12.5 (2,-2,2)
36.83 2.4407 3.9 (3,0,-3)
36.83 2.4407 7.7 (3,1,-2)
36.83 2.4407 5.2 (3,-2,1)
36.83 2.4407 3.9 (1,-2,3)
36.83 2.4407 2.6 (2,-1,2)
40.88 2.2077 18.8 (4,-1,-2)
Get direct link

Energy Properties

Formation Energy/atom
-0.04190
eV/atom
Energy/atom
-13.43047
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.4305
eV/atom
Volume/atom
19.83
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.534
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
64.884
GPa
GVRH
35.962
GPa
Young's Modulus E
91.062
GPa
Poisson Ratio ν
0.266
Pugh Ratio K/G
1.804
Vickers Hardness Est.
5.153
GPa
Ductility
Brittle
Anisotropy
0.539
Lame λ
40.909
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
P · 0.429
Element Family
Metalloid-Nonmetal
Solute Fraction
0.571
Interstitial Fraction
0.429

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5390
Homogeneous Poisson ν
0.2660
Debye Temperature
321.1
K
Sound Velocity
2,919.4
m/s
Homogeneity
0.2660

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-17862
Reference Citation

The crystal structure and related material properties of Ag3Ge5P6 were obtained from the Materials Project database (MP-ID: mp-17862, 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_Ag3Ge5P6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96751863
_cell_length_b   8.96751886
_cell_length_c   8.96751506
_cell_angle_alpha   109.47122650
_cell_angle_beta   109.47124834
_cell_angle_gamma   109.47124116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Ge5P6
_chemical_formula_sum   'Ag6 Ge10 P12'
_cell_volume   555.12977309
_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
  Ag  Ag0  1  0.80432516  -0.00000071  0.80432416  1.0
  Ag  Ag1  1  0.19567399  0.19567372  -0.00000153  1.0
  Ag  Ag2  1  0.80432464  0.80432429  -0.00000115  1.0
  Ag  Ag3  1  -0.00000112  0.19567367  0.19567345  1.0
  Ag  Ag4  1  -0.00000049  0.80432486  0.80432427  1.0
  Ag  Ag5  1  0.19567392  -0.00000130  0.19567409  1.0
  Ge  Ge6  1  0.50000007  0.25000023  0.75000069  1.0
  Ge  Ge7  1  0.75000037  0.25000035  0.50000031  1.0
  Ge  Ge8  1  0.25000022  0.75000062  0.50000039  1.0
  Ge  Ge9  1  0.75000046  0.50000040  0.25000030  1.0
  Ge  Ge10  1  0.42453213  0.42453195  0.42453219  1.0
  Ge  Ge11  1  -0.00000069  0.57546558  -0.00000082  1.0
  Ge  Ge12  1  0.57546608  -0.00000040  -0.00000045  1.0
  Ge  Ge13  1  -0.00000091  -0.00000047  0.57546590  1.0
  Ge  Ge14  1  0.25000025  0.50000012  0.75000042  1.0
  Ge  Ge15  1  0.49999999  0.75000055  0.25000029  1.0
  P  P16  1  0.51079453  0.51079486  0.74335106  1.0
  P  P17  1  0.00000191  0.23255815  0.48920670  1.0
  P  P18  1  0.23255808  0.00000204  0.48920708  1.0
  P  P19  1  0.76744313  0.25664779  0.76744312  1.0
  P  P20  1  0.25664800  0.76744333  0.76744352  1.0
  P  P21  1  0.74335108  0.51079496  0.51079468  1.0
  P  P22  1  0.51079455  0.74335109  0.51079450  1.0
  P  P23  1  0.23255802  0.48920657  0.00000182  1.0
  P  P24  1  0.48920668  0.23255807  0.00000186  1.0
  P  P25  1  0.76744346  0.76744326  0.25664791  1.0
  P  P26  1  0.48920684  0.00000191  0.23255832  1.0
  P  P27  1  0.00000162  0.48920649  0.23255792  1.0
Get direct link