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AgClO4

Elasticity Data ELA

MP-ID: mp-22993 · Space group: I-42m (#121)

Basic Information

Formula
AgClO4
MP-ID
mp-22993
Elements
3
Sites
6
Density
4.2298
g/cm³
Volume
81.39
ų
Cell a
4.8371
Å
Cell b
4.8371
Å
Cell c
4.8371
Å
α Angle
92.04
°
β Angle
118.83
°
γ Angle
118.83
°
Space Group
I-42m
Point Group
-42m
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
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
22.39 3.9706 12.3 (1,0,-1)
22.39 3.9706 12.3 (0,0,1)
25.59 3.4808 100.0 (1,0,0)
26.54 3.3588 35.9 (1,-1,-1)
36.51 2.4613 18.0 (1,1,-1)
37.20 2.4170 48.1 (2,-1,-1)
37.20 2.4170 16.0 (1,-2,0)
43.25 2.0920 19.4 (2,0,-1)
43.25 2.0920 11.7 (0,2,-1)
44.45 2.0382 15.9 (2,-1,-2)
45.70 1.9853 7.8 (2,0,-2)
45.70 1.9853 23.5 (0,2,0)
52.59 1.7404 6.1 (2,0,0)
52.59 1.7404 6.1 (0,2,-2)
54.65 1.6794 1.6 (2,-2,-2)
57.85 1.5940 4.8 (2,1,-2)
57.85 1.5940 4.8 (1,-1,2)
58.82 1.5698 3.6 (3,-1,-2)
58.82 1.5698 3.6 (0,1,2)
59.37 1.5567 6.7 (2,1,-1)
59.37 1.5567 2.2 (1,-2,2)
59.85 1.5453 7.0 (3,-1,-1)
59.85 1.5453 7.0 (1,1,-3)
61.29 1.5126 10.1 (3,-2,-2)
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Energy Properties

Formation Energy/atom
-0.41407
eV/atom
Energy/atom
-4.49462
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-8.5717
eV/atom
Volume/atom
13.56
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
2.613
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
26.665
GPa
GVRH
9.049
GPa
Young's Modulus E
24.388
GPa
Poisson Ratio ν
0.348
Pugh Ratio K/G
2.947
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.511
Lame λ
20.632
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5110
Homogeneous Poisson ν
0.3480
Debye Temperature
255.1
K
Sound Velocity
1,643.9
m/s
Homogeneity
0.3480

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-22993
Reference Citation

The crystal structure and related material properties of AgClO4 were obtained from the Materials Project database (MP-ID: mp-22993, 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_AgClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83708932
_cell_length_b   4.83708848
_cell_length_c   4.83708905
_cell_angle_alpha   92.04375941
_cell_angle_beta   118.82713939
_cell_angle_gamma   118.82712382
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgClO4
_chemical_formula_sum   'Ag1 Cl1 O4'
_cell_volume   81.38981886
_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
  Ag  Ag0  1  -0.00000000  0.50000000  0.50000000  1.0
  Cl  Cl1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  O  O2  1  0.66265808  0.95808579  0.95808579  1.0
  O  O3  1  0.00000000  0.04191421  0.70457130  1.0
  O  O4  1  0.33734192  0.29542870  0.29542870  1.0
  O  O5  1  -0.00000000  0.70457130  0.04191421  1.0
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