Mg2Al4Si5O18

Elasticity Data ELA

MP-ID: mp-6174 · Space group: Cccm (#66)

Materials Project API

Basic Information

Formula

Mg2Al4Si5O18

MP-ID

mp-6174

Elements

Sites

Density

2.4247

g/cm³

Volume

801.19

Å³

Cell a

9.9347

Cell b

9.9347

Cell c

9.4402

α Angle

90.00

β Angle

90.00

γ Angle

120.69

Space Group

Cccm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Orthorhombic C

Stability

Yes

Packing Fraction

0.5240

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
10.25	8.6336	60.4	(1,-1,0,0)
10.36	8.5429	100.0	(1,0,-1,0)
17.86	4.9670	21.0	(2,-1,-1,0)
18.05	4.9151	9.5	(1,1,-2,0)
18.80	4.7201	11.7	(0,0,0,2)
21.46	4.1416	7.9	(1,-1,0,2)
21.51	4.1314	45.0	(1,0,-1,2)
26.04	3.4216	34.7	(2,-1,-1,2)
26.18	3.4045	22.2	(1,1,-2,2)
28.01	3.1855	17.7	(2,-2,0,2)
28.18	3.1671	49.3	(2,0,-2,2)
28.99	3.0799	31.2	(3,-2,-1,1)
29.11	3.0675	26.1	(3,-1,-2,1)
29.31	3.0470	30.7	(2,1,-3,1)
33.42	2.6814	10.7	(3,-2,-1,2)
33.52	2.6732	10.3	(3,-1,-2,2)
33.70	2.6596	5.1	(2,1,-3,2)
36.17	2.4835	3.0	(4,-2,-2,0)
36.56	2.4576	2.6	(2,2,-4,0)
36.57	2.4572	1.4	(3,-3,0,2)
36.86	2.4383	1.6	(3,0,-3,2)
38.13	2.3600	11.0	(0,0,0,4)
38.83	2.3192	1.3	(4,-3,-1,1)
39.08	2.3051	1.3	(4,-1,-3,1)

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Energy Properties

Formation Energy/atom

-3.33095

eV/atom

Energy/atom

-7.96658

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.5402

eV/atom

Volume/atom

13.81

Å³

c/a Ratio

Electronic Properties

Metallic

Non-metal

Band Gap

4.818

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0038

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

123.273

GPa

G_VRH

50.367

GPa

Young's Modulus E

132.989

GPa

Poisson Ratio ν

0.320

Pugh Ratio K/G

2.447

Vickers Hardness Est.

3.950

GPa

Ductility

Brittle

Anisotropy

0.082

Lame λ

89.695

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.621

Element Family

Metalloid-Nonmetal

Solute Fraction

0.379

Interstitial Fraction

0.172

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0820

Homogeneous Poisson ν

0.3200

Debye Temperature

793.6

Sound Velocity

5,104.0

m/s

Homogeneity

0.3200

Related Tasks

Related computation task IDs (2)

aaabwcvv aaaedvny

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-6174

Reference Citation

The crystal structure and related material properties of Mg2Al4Si5O18 were obtained from the Materials Project database (MP-ID: mp-6174, 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_Mg2Al4Si5O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93464530
_cell_length_b   9.93464530
_cell_length_c   9.44016000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.69407460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Al4Si5O18
_chemical_formula_sum   'Mg4 Al8 Si10 O36'
_cell_volume   801.18829348
_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
  Mg  Mg0  1  0.33746900  0.66253100  0.25000000  1.0
  Mg  Mg1  1  0.66253100  0.33746900  0.25000000  1.0
  Mg  Mg2  1  0.66253100  0.33746900  0.75000000  1.0
  Mg  Mg3  1  0.33746900  0.66253100  0.75000000  1.0
  Al  Al4  1  0.00000000  0.50000000  0.24992400  1.0
  Al  Al5  1  0.50000000  0.00000000  0.25007600  1.0
  Al  Al6  1  0.50000000  0.00000000  0.74992400  1.0
  Al  Al7  1  0.00000000  0.50000000  0.75007600  1.0
  Al  Al8  1  0.25761500  0.35838700  0.50000000  1.0
  Al  Al9  1  0.74238500  0.64161300  0.50000000  1.0
  Al  Al10  1  0.35838700  0.25761500  0.00000000  1.0
  Al  Al11  1  0.64161300  0.74238500  0.00000000  1.0
  Si  Si12  1  0.11348800  0.72910900  0.50000000  1.0
  Si  Si13  1  0.88651200  0.27089100  0.50000000  1.0
  Si  Si14  1  0.27089100  0.88651200  0.00000000  1.0
  Si  Si15  1  0.72910900  0.11348800  0.00000000  1.0
  Si  Si16  1  0.50000000  0.50000000  0.75000000  1.0
  Si  Si17  1  0.50000000  0.50000000  0.25000000  1.0
  Si  Si18  1  0.89846100  0.62790600  0.00000000  1.0
  Si  Si19  1  0.10153900  0.37209400  0.00000000  1.0
  Si  Si20  1  0.62790600  0.89846100  0.50000000  1.0
  Si  Si21  1  0.37209400  0.10153900  0.50000000  1.0
  O  O22  1  0.35379300  0.47872700  0.34893800  1.0
  O  O23  1  0.13658900  0.48345700  0.85819500  1.0
  O  O24  1  0.48345700  0.13658900  0.35819500  1.0
  O  O25  1  0.51654300  0.86341100  0.35819500  1.0
  O  O26  1  0.24300600  0.91458200  0.50000000  1.0
  O  O27  1  0.75699400  0.08541800  0.50000000  1.0
  O  O28  1  0.91458200  0.24300600  0.00000000  1.0
  O  O29  1  0.08541800  0.75699400  0.00000000  1.0
  O  O30  1  0.29190500  0.20502200  0.50000000  1.0
  O  O31  1  0.70809500  0.79497800  0.50000000  1.0
  O  O32  1  0.20502200  0.29190500  0.00000000  1.0
  O  O33  1  0.79497800  0.70809500  0.00000000  1.0
  O  O34  1  0.06319300  0.30715500  0.50000000  1.0
  O  O35  1  0.93680700  0.69284500  0.50000000  1.0
  O  O36  1  0.30715500  0.06319300  0.00000000  1.0
  O  O37  1  0.69284500  0.93680700  0.00000000  1.0
  O  O38  1  0.51654300  0.86341100  0.64180500  1.0
  O  O39  1  0.48345700  0.13658900  0.64180500  1.0
  O  O40  1  0.64990100  0.14415000  0.14151200  1.0
  O  O41  1  0.13658900  0.48345700  0.14180500  1.0
  O  O42  1  0.14415000  0.64990100  0.35848800  1.0
  O  O43  1  0.85585000  0.35009900  0.35848800  1.0
  O  O44  1  0.35009900  0.85585000  0.85848800  1.0
  O  O45  1  0.64990100  0.14415000  0.85848800  1.0
  O  O46  1  0.85585000  0.35009900  0.64151200  1.0
  O  O47  1  0.14415000  0.64990100  0.64151200  1.0
  O  O48  1  0.52127300  0.64620700  0.15106200  1.0
  O  O49  1  0.47872700  0.35379300  0.15106200  1.0
  O  O50  1  0.64620700  0.52127300  0.34893800  1.0
  O  O51  1  0.35009900  0.85585000  0.14151200  1.0
  O  O52  1  0.47872700  0.35379300  0.84893800  1.0
  O  O53  1  0.52127300  0.64620700  0.84893800  1.0
  O  O54  1  0.35379300  0.47872700  0.65106200  1.0
  O  O55  1  0.64620700  0.52127300  0.65106200  1.0
  O  O56  1  0.86341100  0.51654300  0.14180500  1.0
  O  O57  1  0.86341100  0.51654300  0.85819500  1.0

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