KAgC2

Elasticity Data ELA

MP-ID: mp-10102 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

KAgC2

MP-ID

mp-10102

Elements

Sites

Density

2.8253

g/cm³

Volume

100.50

Å³

Cell a

4.3367

Cell b

4.3367

Cell c

5.3436

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
16.59	5.3436	10.1	(0,0,1)
20.48	4.3367	45.5	(1,0,0)
26.47	3.3673	100.0	(1,0,1)
29.12	3.0665	65.4	(1,1,0)
33.54	2.6718	17.3	(0,0,2)
33.70	2.6597	8.8	(1,1,1)
39.62	2.2747	10.0	(1,0,2)
41.65	2.1684	22.9	(2,0,0)
45.00	2.0144	29.0	(1,1,2)
45.12	2.0092	4.3	(2,0,1)
46.84	1.9394	9.2	(2,1,0)
50.03	1.8231	33.7	(2,1,1)
51.29	1.7812	1.5	(0,0,3)
54.50	1.6837	15.8	(2,0,2)
55.80	1.6476	16.3	(1,0,3)
58.84	1.5695	6.1	(2,1,2)
60.07	1.5402	3.5	(1,1,3)
60.37	1.5333	6.8	(2,2,0)
63.08	1.4738	1.7	(2,2,1)
64.46	1.4456	1.6	(3,0,0)
67.07	1.3954	6.7	(3,0,1)
68.13	1.3764	2.4	(2,0,3)
68.41	1.3714	9.1	(3,1,0)
70.49	1.3359	1.4	(0,0,4)

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Energy Properties

Formation Energy/atom

0.35410

eV/atom

Energy/atom

-11.46306

eV/atom

Energy above Hull

0.3801

eV/atom

Uncorrected Energy

-5.2451

eV/atom

Volume/atom

25.12

Å³

c/a Ratio

1.2322

Electronic Properties

Metallic

Non-metal

Band Gap

2.477

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

29.114

GPa

G_VRH

14.306

GPa

Young's Modulus E

36.878

GPa

Poisson Ratio ν

0.289

Pugh Ratio K/G

2.035

Vickers Hardness Est.

1.130

GPa

Ductility

Brittle

Anisotropy

21.699

Lame λ

19.577

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

21.6990

Homogeneous Poisson ν

0.2890

Debye Temperature

278.1

Sound Velocity

2,509.9

m/s

Homogeneity

0.2890

Related Tasks

Related computation task IDs (5)

aaadmmeu aaaenkut aaafagsf aaafalje aaafdgjq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10102

Reference Citation

The crystal structure and related material properties of KAgC2 were obtained from the Materials Project database (MP-ID: mp-10102, 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

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_KAgC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33670900
_cell_length_b   4.33670900
_cell_length_c   5.34355000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAgC2
_chemical_formula_sum   'K1 Ag1 C2'
_cell_volume   100.49638505
_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
  K  K0  1  0.50000000  0.50000000  0.50000000  1.0
  Ag  Ag1  1  0.00000000  0.00000000  0.00000000  1.0
  C  C2  1  0.00000000  0.00000000  0.61690700  1.0
  C  C3  1  0.00000000  0.00000000  0.38309300  1.0

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