Na2Al2(SiO4)3

Elasticity Data ELA

MP-ID: mp-1196695 · Space group: Fdd2 (#43)

Materials Project API

Basic Information

Formula

Na2Al2(SiO4)3

MP-ID

mp-1196695

Elements

Sites

Density

2.2021

g/cm³

Volume

567.35

Å³

Cell a

12.9538

Cell b

9.7848

Cell c

9.7429

α Angle

83.11

β Angle

48.58

γ Angle

48.30

Space Group

Fdd2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Orthorhombic F

Stability

Packing Fraction

0.7400

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
13.67	6.4768	59.5	(0,1,-1)
14.78	5.9946	100.0	(1,1,1)
19.33	4.5910	14.9	(2,2,0)
19.43	4.5687	31.7	(2,0,2)
20.16	4.4044	36.7	(2,2,1)
20.21	4.3945	80.2	(2,1,2)
21.66	4.1023	13.5	(1,2,-1)
21.73	4.0903	11.3	(1,-1,2)
24.46	3.6393	5.0	(3,2,2)
27.54	3.2384	8.3	(0,2,-2)
28.08	3.1783	32.9	(3,3,1)
28.12	3.1729	8.9	(1,2,1)
28.14	3.1710	22.2	(1,1,2)
28.18	3.1672	37.7	(3,0,2)
29.81	2.9973	29.6	(2,2,2)
30.93	2.8909	8.8	(2,-1,3)
31.37	2.8519	55.3	(4,3,2)
31.43	2.8466	36.6	(1,-1,3)
34.37	2.6091	12.3	(3,3,2)
34.41	2.6060	12.0	(3,2,3)
35.30	2.5428	2.3	(1,3,-2)
37.08	2.4242	27.8	(4,3,0)
37.16	2.4193	2.4	(0,3,-2)
37.24	2.4143	22.2	(4,0,3)

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Energy Properties

Formation Energy/atom

-2.62047

eV/atom

Energy/atom

-7.13764

eV/atom

Energy above Hull

0.2177

eV/atom

Uncorrected Energy

-6.7037

eV/atom

Volume/atom

14.93

Å³

c/a Ratio

Electronic Properties

Metallic

Non-metal

Band Gap

0.572

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.014100

μB/Å³

Elastic Properties

K_VRH

46.316

GPa

G_VRH

26.647

GPa

Young's Modulus E

67.077

GPa

Poisson Ratio ν

0.259

Pugh Ratio K/G

1.738

Vickers Hardness Est.

4.147

GPa

Ductility

Ductile

Anisotropy

0.946

Lame λ

28.551

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.632

Element Family

Metalloid-Nonmetal

Solute Fraction

0.368

Interstitial Fraction

0.158

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.9460

Homogeneous Poisson ν

0.2590

Debye Temperature

592.9

Sound Velocity

3,865.8

m/s

Homogeneity

0.2590

Related Tasks

Related computation task IDs (2)

aaadunjg aaaedhbx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1196695

Reference Citation

The crystal structure and related material properties of Na2Al2(SiO4)3 were obtained from the Materials Project database (MP-ID: mp-1196695, 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

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Raw CIF Data

# generated using pymatgen
data_Na2Al2(SiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.95382541
_cell_length_b   9.78480397
_cell_length_c   9.74285187
_cell_angle_alpha   83.11264864
_cell_angle_beta   48.58252916
_cell_angle_gamma   48.30482219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Al2(SiO4)3
_chemical_formula_sum   'Na4 Al4 Si6 O24'
_cell_volume   567.35072766
_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  0.11444600  0.44789800  0.83019300  1.0
  Na  Na1  1  0.60746400  0.83019300  0.44789800  1.0
  Na  Na2  1  0.41980700  0.64253600  0.13555400  1.0
  Na  Na3  1  0.80210200  0.13555400  0.64253600  1.0
  Al  Al4  1  0.00262800  0.69111700  0.56554300  1.0
  Al  Al5  1  0.74071200  0.56554300  0.69111700  1.0
  Al  Al6  1  0.68445700  0.50928800  0.24737200  1.0
  Al  Al7  1  0.55888300  0.24737200  0.50928800  1.0
  Si  Si8  1  0.26570400  0.23429600  0.23429600  1.0
  Si  Si9  1  0.01570400  0.98429600  0.98429600  1.0
  Si  Si10  1  0.24524600  0.68276900  0.55834800  1.0
  Si  Si11  1  0.51363700  0.55834800  0.68276900  1.0
  Si  Si12  1  0.69165200  0.73636300  0.00475400  1.0
  Si  Si13  1  0.56723100  0.00475400  0.73636300  1.0
  O  O14  1  0.20758800  0.43129300  0.32890300  1.0
  O  O15  1  0.03221600  0.32890300  0.43129300  1.0
  O  O16  1  0.92109700  0.21778400  0.04241200  1.0
  O  O17  1  0.81870700  0.04241200  0.21778400  1.0
  O  O18  1  0.11548700  0.75984500  0.51642800  1.0
  O  O19  1  0.60824000  0.51642800  0.75984600  1.0
  O  O20  1  0.73357200  0.64176000  0.13451300  1.0
  O  O21  1  0.49015500  0.13451300  0.64176000  1.0
  O  O22  1  0.89940100  0.67566300  0.79633700  1.0
  O  O23  1  0.62860000  0.79633700  0.67566300  1.0
  O  O24  1  0.45366300  0.62140000  0.35059900  1.0
  O  O25  1  0.57433700  0.35059900  0.62140000  1.0
  O  O26  1  0.33572600  0.46719800  0.56970300  1.0
  O  O27  1  0.62737200  0.56970300  0.46719800  1.0
  O  O28  1  0.68029700  0.62262800  0.91427400  1.0
  O  O29  1  0.78280200  0.91427400  0.62262800  1.0
  O  O30  1  0.06279900  0.90016900  0.79539500  1.0
  O  O31  1  0.24163700  0.79539500  0.90016900  1.0
  O  O32  1  0.45460500  0.00836300  0.18720100  1.0
  O  O33  1  0.34983100  0.18720100  0.00836300  1.0
  O  O34  1  0.50809400  0.32424100  0.05982200  1.0
  O  O35  1  0.10784300  0.05982200  0.32424100  1.0
  O  O36  1  0.19017800  0.14215700  0.74190600  1.0
  O  O37  1  0.92575900  0.74190600  0.14215700  1.0

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