Ca2Mg5(SiO3)8

Elasticity Data ELA

MP-ID: mp-1129406 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Ca2Mg5(SiO3)8

MP-ID

mp-1129406

Elements

Sites

Density

2.8362

g/cm³

Volume

474.44

Å³

Cell a

10.4623

Cell b

10.4623

Cell c

5.3352

α Angle

83.10

β Angle

83.10

γ Angle

122.92

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Monoclinic C

Stability

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
9.62	9.1911	54.6	(1,-1,0)
10.33	8.5618	67.6	(1,0,0)
17.13	5.1766	12.9	(2,-1,0)
17.17	5.1637	6.6	(0,0,1)
17.98	4.9340	35.3	(1,0,1)
18.34	4.8377	4.0	(1,1,0)
19.31	4.5955	28.8	(2,-2,0)
19.72	4.5019	1.5	(1,-1,1)
20.75	4.2809	8.0	(2,0,0)
21.79	4.0792	2.6	(1,1,1)
21.99	4.0418	5.8	(1,0,-1)
22.63	3.9298	29.0	(2,-1,1)
25.96	3.4322	61.1	(2,-1,-1)
26.76	3.3319	42.8	(3,-1,0)
28.09	3.1766	73.1	(2,1,0)
28.27	3.1564	3.5	(1,1,-1)
29.13	3.0657	2.6	(2,1,1)
29.92	2.9867	6.7	(3,-2,1)
29.93	2.9853	35.8	(2,0,-1)
31.34	2.8539	7.4	(3,0,0)
32.29	2.7727	23.8	(3,0,1)
32.56	2.7499	100.0	(3,-2,-1)
34.03	2.6348	24.9	(3,-3,1)
34.75	2.5818	7.1	(0,0,2)

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Energy Properties

Formation Energy/atom

-3.16456

eV/atom

Energy/atom

-7.63423

eV/atom

Energy above Hull

0.0447

eV/atom

Uncorrected Energy

-7.2115

eV/atom

Volume/atom

12.17

Å³

c/a Ratio

Electronic Properties

Metallic

Non-metal

Band Gap

0.017

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

79.469

GPa

G_VRH

53.835

GPa

Young's Modulus E

131.754

GPa

Poisson Ratio ν

0.224

Pugh Ratio K/G

1.476

Vickers Hardness Est.

10.056

GPa

Ductility

Ductile

Anisotropy

0.589

Lame λ

43.579

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.615

Element Family

Metalloid-Nonmetal

Solute Fraction

0.385

Interstitial Fraction

0.205

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5890

Homogeneous Poisson ν

0.2240

Debye Temperature

773.0

Sound Velocity

4,822.3

m/s

Homogeneity

0.2240

Related Tasks

Related computation task IDs (1)

aaadzicr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1129406

Reference Citation

The crystal structure and related material properties of Ca2Mg5(SiO3)8 were obtained from the Materials Project database (MP-ID: mp-1129406, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Ca2Mg5(SiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46230637
_cell_length_b   10.46230637
_cell_length_c   5.33518717
_cell_angle_alpha   83.09847166
_cell_angle_beta   83.09847166
_cell_angle_gamma   122.92274113
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Mg5(SiO3)8
_chemical_formula_sum   'Ca2 Mg5 Si8 O24'
_cell_volume   474.44385352
_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
  Ca  Ca0  1  0.72145800  0.27854200  0.50000000  1.0
  Ca  Ca1  1  0.27854200  0.72145800  0.50000000  1.0
  Mg  Mg2  1  0.90612100  0.09387900  0.50000000  1.0
  Mg  Mg3  1  0.09387900  0.90612100  0.50000000  1.0
  Mg  Mg4  1  0.82210300  0.17789700  0.00000000  1.0
  Mg  Mg5  1  0.17789700  0.82210300  0.00000000  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si7  1  0.19517800  0.36270400  0.70676400  1.0
  Si  Si8  1  0.36270400  0.19517800  0.70676400  1.0
  Si  Si9  1  0.80482200  0.63729600  0.29323600  1.0
  Si  Si10  1  0.63729600  0.80482200  0.29323600  1.0
  Si  Si11  1  0.11807000  0.45943900  0.19765000  1.0
  Si  Si12  1  0.45943900  0.11807000  0.19765000  1.0
  Si  Si13  1  0.88193000  0.54056100  0.80235000  1.0
  Si  Si14  1  0.54056100  0.88193000  0.80235000  1.0
  O  O15  1  0.02377300  0.19865200  0.78867600  1.0
  O  O16  1  0.19865200  0.02377300  0.78867600  1.0
  O  O17  1  0.97622700  0.80134800  0.21132400  1.0
  O  O18  1  0.80134800  0.97622700  0.21132400  1.0
  O  O19  1  0.94669800  0.29211600  0.27636000  1.0
  O  O20  1  0.29211600  0.94669800  0.27636000  1.0
  O  O21  1  0.05330200  0.70788400  0.72364000  1.0
  O  O22  1  0.70788400  0.05330200  0.72364000  1.0
  O  O23  1  0.08544900  0.08544900  0.31920400  1.0
  O  O24  1  0.91455100  0.91455100  0.68079600  1.0
  O  O25  1  0.12139100  0.61415000  0.20584100  1.0
  O  O26  1  0.61415000  0.12139100  0.20584100  1.0
  O  O27  1  0.87860900  0.38585000  0.79415900  1.0
  O  O28  1  0.38585000  0.87860900  0.79415900  1.0
  O  O29  1  0.21260300  0.47791100  0.90556000  1.0
  O  O30  1  0.47791100  0.21260300  0.90556000  1.0
  O  O31  1  0.78739700  0.52208900  0.09444000  1.0
  O  O32  1  0.52208900  0.78739700  0.09444000  1.0
  O  O33  1  0.22244800  0.46230500  0.41786200  1.0
  O  O34  1  0.46230500  0.22244800  0.41786200  1.0
  O  O35  1  0.77755200  0.53769500  0.58213800  1.0
  O  O36  1  0.53769500  0.77755200  0.58213800  1.0
  O  O37  1  0.33391800  0.33391800  0.70529100  1.0
  O  O38  1  0.66608200  0.66608200  0.29470900  1.0

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