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Ag2S

Elasticity Data ELA

MP-ID: mp-2025704 · Space group: P2_1/m (#11)

Basic Information

Formula
Ag2S
MP-ID
mp-2025704
Elements
2
Sites
6
Density
6.0466
g/cm³
Volume
136.10
ų
Cell a
4.0221
Å
Cell b
5.8254
Å
Cell c
9.6321
Å
α Angle
90.00
°
β Angle
142.91
°
γ Angle
90.00
°
Space Group
P2_1/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
Stability
No
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
21.60 4.1133 6.1 (0,1,1)
22.14 4.0144 100.0 (1,0,-2)
26.19 3.4026 1.5 (1,0,-1)
26.97 3.3055 2.7 (1,1,-2)
27.79 3.2107 1.1 (1,0,-3)
30.70 2.9127 36.8 (0,2,0)
30.78 2.9044 36.7 (0,0,2)
37.06 2.4256 33.1 (1,0,0)
38.17 2.3575 63.2 (1,2,-2)
39.40 2.2868 29.8 (1,0,-4)
44.03 2.0567 47.6 (0,2,2)
45.17 2.0072 14.1 (2,0,-4)
48.86 1.8639 24.3 (1,2,0)
50.76 1.7987 19.9 (1,2,-4)
53.89 1.7013 11.7 (2,0,-2)
55.61 1.6528 20.7 (2,2,-4)
57.40 1.6053 9.0 (2,0,-6)
63.31 1.4691 9.5 (2,2,-2)
63.92 1.4564 7.4 (0,4,0)
64.13 1.4522 7.2 (0,0,4)
66.50 1.4059 8.7 (2,2,-6)
67.18 1.3935 4.6 (1,0,2)
68.54 1.3691 8.0 (1,4,-2)
70.29 1.3393 3.5 (1,0,-6)
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Energy Properties

Formation Energy/atom
-0.10504
eV/atom
Energy/atom
-17.02030
eV/atom
Energy above Hull
0.0133
eV/atom
Uncorrected Energy
-17.0203
eV/atom
Volume/atom
22.68
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.798
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
9.903
GPa
GVRH
6.919
GPa
Young's Modulus E
16.836
GPa
Poisson Ratio ν
0.217
Pugh Ratio K/G
1.431
Vickers Hardness Est.
1.076
GPa
Ductility
Ductile
Anisotropy
38.856
Lame λ
5.290
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ag · 0.667
Element Family
4d-TM
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
38.8560
Homogeneous Poisson ν
0.2170
Debye Temperature
124.4
K
Sound Velocity
1,183.1
m/s
Homogeneity
0.2170

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-2025704
Reference Citation

The crystal structure and related material properties of Ag2S were obtained from the Materials Project database (MP-ID: mp-2025704, 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_Ag2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02209646
_cell_length_b   5.82543372
_cell_length_c   9.63205741
_cell_angle_alpha   90.00000000
_cell_angle_beta   142.90936476
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2S
_chemical_formula_sum   'Ag4 S2'
_cell_volume   136.10466801
_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  -0.00108946  0.99933570  -0.00235305  1.0
  Ag  Ag1  1  0.01036535  0.50122965  0.50164984  1.0
  Ag  Ag2  1  -0.01036135  0.00123065  0.49835216  1.0
  Ag  Ag3  1  0.00108746  0.49933470  0.00235205  1.0
  S  S4  1  0.80074489  0.24943464  0.23820903  1.0
  S  S5  1  0.19925311  0.74943564  0.76178997  1.0
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