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AgB(CN)4

Elasticity Data ELA

MP-ID: mp-10413 · Space group: P-43m (#215)

Basic Information

Formula
AgB(CN)4
MP-ID
mp-10413
Elements
4
Sites
10
Density
1.9056
g/cm³
Volume
194.11
ų
Cell a
5.7900
Å
Cell b
5.7900
Å
Cell c
5.7900
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
Cubic 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
15.30 5.7900 39.5 (1,0,0)
21.71 4.0942 100.0 (1,1,0)
26.67 3.3429 34.3 (1,1,1)
30.89 2.8950 2.6 (2,0,0)
34.64 2.5894 35.3 (2,1,0)
38.07 2.3638 31.7 (2,1,1)
44.25 2.0471 22.6 (2,2,0)
47.09 1.9300 20.9 (2,2,1)
49.80 1.8310 10.1 (3,1,0)
52.41 1.7458 13.4 (3,1,1)
54.93 1.6714 1.8 (2,2,2)
57.38 1.6059 8.4 (3,2,0)
59.76 1.5475 20.4 (3,2,1)
64.36 1.4475 2.1 (4,0,0)
66.59 1.4043 10.3 (4,1,0)
68.79 1.3647 9.9 (4,1,1)
70.95 1.3283 3.2 (3,3,1)
73.09 1.2947 3.1 (4,2,0)
75.20 1.2635 5.9 (4,2,1)
77.29 1.2344 2.8 (3,3,2)
81.43 1.1819 5.1 (4,2,2)
83.48 1.1580 2.0 (5,0,0)
85.52 1.1355 11.0 (5,1,0)
87.55 1.1143 3.5 (5,1,1)
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Energy Properties

Formation Energy/atom
0.15412
eV/atom
Energy/atom
-10.34649
eV/atom
Energy above Hull
0.4367
eV/atom
Uncorrected Energy
-7.6884
eV/atom
Volume/atom
19.41
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
4.280
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
32.863
GPa
GVRH
2.992
GPa
Young's Modulus E
8.712
GPa
Poisson Ratio ν
0.456
Pugh Ratio K/G
10.984
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.042
Lame λ
30.868
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.400
Element Family
Metalloid-Nonmetal
Solute Fraction
0.600
Interstitial Fraction
0.900

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0420
Homogeneous Poisson ν
0.4560
Debye Temperature
158.2
K
Sound Velocity
1,428.9
m/s
Homogeneity
0.4560

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10413
Reference Citation

The crystal structure and related material properties of AgB(CN)4 were obtained from the Materials Project database (MP-ID: mp-10413, 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_AgB(CN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79001400
_cell_length_b   5.79001400
_cell_length_c   5.79001400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgB(CN)4
_chemical_formula_sum   'Ag1 B1 C4 N4'
_cell_volume   194.10594702
_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  0.50000000  0.50000000  0.50000000  1.0
  B  B1  1  0.00000000  0.00000000  0.00000000  1.0
  C  C2  1  0.84166100  0.84166100  0.84166100  1.0
  C  C3  1  0.15833900  0.84166100  0.15833900  1.0
  C  C4  1  0.15833900  0.15833900  0.84166100  1.0
  C  C5  1  0.84166100  0.15833900  0.15833900  1.0
  N  N6  1  0.72570500  0.72570500  0.72570500  1.0
  N  N7  1  0.27429500  0.72570500  0.27429500  1.0
  N  N8  1  0.27429500  0.27429500  0.72570500  1.0
  N  N9  1  0.72570500  0.27429500  0.27429500  1.0
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