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Ag2S

Elasticity Data ELA

MP-ID: mp-1537871 · Space group: Cmcm (#63)

Basic Information

Formula
Ag2S
MP-ID
mp-1537871
Elements
2
Sites
6
Density
6.6756
g/cm³
Volume
123.28
ų
Cell a
4.2315
Å
Cell b
4.2315
Å
Cell c
7.4342
Å
α Angle
89.91
°
β Angle
89.91
°
γ Angle
67.84
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
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
22.69 3.9189 6.1 (1,0,0)
23.94 3.7171 3.7 (0,0,2)
25.36 3.5115 31.8 (1,1,0)
25.69 3.4682 5.7 (1,0,1)
25.71 3.4652 6.2 (1,0,-1)
28.08 3.1774 29.7 (1,1,1)
28.13 3.1728 29.7 (1,1,-1)
33.20 2.6983 100.0 (1,0,2)
33.24 2.6955 97.9 (1,0,-2)
35.12 2.5550 13.8 (1,1,2)
35.19 2.5502 14.5 (1,1,-2)
38.11 2.3613 58.4 (1,-1,0)
43.13 2.0974 22.9 (2,1,0)
43.17 2.0955 1.5 (1,0,3)
43.22 2.0935 1.8 (1,0,-3)
44.72 2.0265 7.9 (1,1,3)
44.80 2.0228 8.0 (1,1,-3)
44.88 2.0195 18.7 (2,1,1)
44.92 2.0177 18.5 (2,1,-1)
45.51 1.9931 1.1 (1,-1,2)
46.34 1.9595 12.6 (2,0,0)
48.00 1.8952 12.8 (2,0,1)
48.03 1.8942 12.8 (2,0,-1)
49.01 1.8585 27.3 (0,0,4)
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Energy Properties

Formation Energy/atom
-0.11837
eV/atom
Energy/atom
-17.03364
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.0336
eV/atom
Volume/atom
20.55
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.608
eV
Direct Gap
Yes
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
28.202
GPa
GVRH
8.147
GPa
Young's Modulus E
22.294
GPa
Poisson Ratio ν
0.368
Pugh Ratio K/G
3.462
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
2.842
Lame λ
22.771
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
2.8420
Homogeneous Poisson ν
0.3680
Debye Temperature
135.3
K
Sound Velocity
1,245.1
m/s
Homogeneity
0.3680

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1537871
Reference Citation

The crystal structure and related material properties of Ag2S were obtained from the Materials Project database (MP-ID: mp-1537871, 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   4.23153932
_cell_length_b   4.23153932
_cell_length_c   7.43416843
_cell_angle_alpha   89.90943025
_cell_angle_beta   89.90943025
_cell_angle_gamma   67.83752493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2S
_chemical_formula_sum   'Ag4 S2'
_cell_volume   123.28056696
_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  -0.00041291  -0.00041291  0.49894454  1.0
  Ag  Ag1  1  0.60213227  0.60213227  0.74871840  1.0
  Ag  Ag2  1  0.39492302  0.39492302  0.25113570  1.0
  Ag  Ag3  1  0.99733787  0.99733787  0.99904353  1.0
  S  S4  1  0.77947132  0.77947132  0.24995048  1.0
  S  S5  1  0.21748943  0.21748943  0.74923534  1.0
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