NaAg2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30352 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

NaAg2

MP-ID

mp-30352

Elements

Sites

Density

6.4014

g/cm³

Volume

123.85

Å³

Cell a

5.5951

Cell b

5.5951

Cell c

5.5951

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
19.43	4.5684	100.0	(1,0,0)
31.99	2.7975	1.9	(2,1,1)
37.71	2.3858	51.3	(2,1,0)
37.71	2.3858	51.3	(1,0,2)
39.45	2.2842	45.1	(2,0,0)
39.45	2.2842	45.1	(0,2,0)
45.87	1.9782	11.4	(2,2,0)
45.87	1.9782	22.9	(2,0,2)
50.26	1.8153	3.9	(3,1,1)
50.26	1.8153	17.5	(2,0,-1)
50.26	1.8153	1.9	(1,1,3)
60.83	1.5228	9.8	(3,2,0)
60.83	1.5228	13.7	(3,3,3)
60.83	1.5228	7.8	(1,3,3)
66.89	1.3988	5.3	(4,2,2)
66.89	1.3988	16.0	(2,4,2)
66.89	1.3988	10.7	(0,2,-2)
70.40	1.3375	2.1	(4,2,1)
70.40	1.3375	8.3	(4,2,3)
70.40	1.3375	5.5	(3,2,4)
79.42	1.2067	3.5	(4,1,0)
79.42	1.2067	4.4	(1,4,0)
79.42	1.2067	2.6	(1,1,-3)
80.52	1.1929	5.2	(4,2,0)

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Energy Properties

Formation Energy/atom

-0.07858

eV/atom

Energy/atom

-15.50389

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.5039

eV/atom

Volume/atom

20.64

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

47.598

GPa

G_VRH

20.815

GPa

Young's Modulus E

54.500

GPa

Poisson Ratio ν

0.309

Pugh Ratio K/G

2.287

Vickers Hardness Est.

1.487

GPa

Ductility

Brittle

Anisotropy

0.299

Lame λ

33.721

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.788

Family

Binary Alloy

Matrix Element

Ag · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2990

Homogeneous Poisson ν

0.3090

Debye Temperature

218.8

Sound Velocity

2,016.5

m/s

Homogeneity

0.3090

Related Tasks

Related computation task IDs (5)

aaadmiul aaadslkd aaaelffl aaaeujsc aaafsckn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30352

Reference Citation

The crystal structure and related material properties of NaAg2 were obtained from the Materials Project database (MP-ID: mp-30352, 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_NaAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59507683
_cell_length_b   5.59507633
_cell_length_c   5.59507539
_cell_angle_alpha   59.99999956
_cell_angle_beta   60.00000252
_cell_angle_gamma   59.99999520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAg2
_chemical_formula_sum   'Na2 Ag4'
_cell_volume   123.85199470
_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
  Na  Na0  1  0.12500000  0.12500000  0.12500000  1.0
  Na  Na1  1  0.87500000  0.87500000  0.87500000  1.0
  Ag  Ag2  1  -0.00000000  0.50000000  0.50000000  1.0
  Ag  Ag3  1  0.50000000  0.00000000  0.50000000  1.0
  Ag  Ag4  1  0.50000000  0.50000000  0.00000000  1.0
  Ag  Ag5  1  0.50000000  0.50000000  0.50000000  1.0

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