Na2ZnSiO4

Elasticity Data ELA

MP-ID: mp-6391 · Space group: Pc (#7)

Materials Project API

Basic Information

Formula

Na2ZnSiO4

MP-ID

mp-6391

Elements

Sites

Density

3.4114

g/cm³

Volume

198.09

Å³

Cell a

5.2289

Cell b

5.4450

Cell c

6.9576

α Angle

90.00

β Angle

90.21

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

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
16.28	5.4450	2.1	(0,1,0)
20.71	4.2879	78.9	(0,1,1)
21.22	4.1875	41.9	(1,0,-1)
21.29	4.1726	48.4	(1,0,1)
23.59	3.7714	17.5	(1,1,0)
25.61	3.4788	9.6	(0,0,2)
26.86	3.3194	6.6	(1,1,-1)
26.92	3.3119	5.3	(1,1,1)
30.49	2.9315	75.4	(0,1,2)
32.90	2.7225	72.5	(0,2,0)
34.30	2.6144	100.0	(2,0,0)
35.05	2.5605	81.9	(1,1,-2)
35.14	2.5537	80.1	(1,1,2)
35.41	2.5353	4.5	(0,2,1)
37.24	2.4148	34.4	(1,2,0)
38.19	2.3568	1.3	(2,1,0)
39.48	2.2825	2.2	(1,2,-1)
39.52	2.2801	9.3	(1,2,1)
40.36	2.2345	3.5	(2,1,-1)
40.45	2.2300	9.1	(2,1,1)
42.15	2.1440	6.5	(0,2,2)
42.36	2.1337	5.1	(0,1,3)
42.59	2.1229	9.7	(1,0,-3)
43.21	2.0937	5.0	(2,0,-2)

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Energy Properties

Formation Energy/atom

-2.48763

eV/atom

Energy/atom

-6.13267

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-5.7892

eV/atom

Volume/atom

12.38

Å³

c/a Ratio

1.3306

Electronic Properties

Metallic

Non-metal

Band Gap

3.174

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

77.843

GPa

G_VRH

34.457

GPa

Young's Modulus E

90.080

GPa

Poisson Ratio ν

0.307

Pugh Ratio K/G

2.259

Vickers Hardness Est.

3.113

GPa

Ductility

Brittle

Anisotropy

0.695

Lame λ

54.872

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.125

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.6950

Homogeneous Poisson ν

0.3070

Debye Temperature

518.5

Sound Velocity

3,553.2

m/s

Homogeneity

0.3070

Related Tasks

Related computation task IDs (7)

aaadiulf aaadjrul aaadmxpy aaadsoop aaaeadei aaaetvtm aaafskmu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-6391

Reference Citation

The crystal structure and related material properties of Na2ZnSiO4 were obtained from the Materials Project database (MP-ID: mp-6391, 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_Na2ZnSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22888939
_cell_length_b   5.44494509
_cell_length_c   6.95755264
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.21234888
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnSiO4
_chemical_formula_sum   'Na4 Zn2 Si2 O8'
_cell_volume   198.08722914
_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  0.01285338  0.67591878  0.74726024  1.0
  Na  Na1  1  0.50840477  0.81746025  0.99165738  1.0
  Na  Na2  1  0.51285338  0.32408122  0.24726024  1.0
  Na  Na3  1  0.00840477  0.18253975  0.49165738  1.0
  Zn  Zn4  1  0.49951536  0.81229914  0.49795977  1.0
  Zn  Zn5  1  0.99951536  0.18770086  0.99795977  1.0
  Si  Si6  1  0.99556321  0.68714710  0.24527176  1.0
  Si  Si7  1  0.49556321  0.31285290  0.74527176  1.0
  O  O8  1  0.63340906  0.20895295  0.93987245  1.0
  O  O9  1  0.13340906  0.79104705  0.43987245  1.0
  O  O10  1  0.57763075  0.15836517  0.55279129  1.0
  O  O11  1  0.07763075  0.84163483  0.05279229  1.0
  O  O12  1  0.18611020  0.28957447  0.77171927  1.0
  O  O13  1  0.07511229  0.39807199  0.21796582  1.0
  O  O14  1  0.57511229  0.60192801  0.71796582  1.0
  O  O15  1  0.68611020  0.71042553  0.27171927  1.0

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