LiGa(SiO3)2

Elasticity Data ELA

MP-ID: mp-6241 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

LiGa(SiO3)2

MP-ID

mp-6241

Elements

Sites

Density

3.6066

g/cm³

Volume

421.43

Å³

Cell a

8.7265

Cell b

5.3148

Cell c

9.2835

α Angle

78.18

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Packing Fraction

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
14.07	6.2940	74.4	(1,0,1)
19.54	4.5433	4.0	(0,0,2)
19.87	4.4683	44.2	(1,1,0)
20.35	4.3632	26.8	(2,0,0)
25.38	3.5095	38.6	(1,1,2)
29.66	3.0115	100.0	(2,1,-1)
31.26	2.8614	64.8	(1,0,3)
32.31	2.7703	10.4	(3,0,1)
35.35	2.5389	21.6	(3,1,0)
35.42	2.5341	6.0	(1,2,1)
36.11	2.4877	31.2	(0,2,2)
37.35	2.4079	29.1	(2,1,3)
38.87	2.3172	2.3	(3,1,2)
39.31	2.2918	3.2	(1,2,-1)
40.37	2.2342	2.0	(2,2,0)
40.84	2.2097	1.4	(0,2,3)
41.39	2.1816	3.1	(4,0,0)
42.19	2.1421	18.2	(1,2,3)
42.49	2.1275	20.4	(3,1,-2)
42.85	2.1106	11.6	(2,1,-3)
43.49	2.0809	9.4	(0,2,-2)
45.39	1.9980	1.6	(4,1,1)
46.16	1.9666	2.6	(4,0,2)
47.03	1.9322	13.2	(4,1,-1)

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Energy Properties

Formation Energy/atom

-2.88936

eV/atom

Energy/atom

-7.43690

eV/atom

Energy above Hull

0.0427

eV/atom

Uncorrected Energy

eV/atom

Volume/atom

Å³

c/a Ratio

Electronic Properties

Metallic

Non-metal

Band Gap

4.310

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0009

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

96.585

GPa

G_VRH

60.422

GPa

Young's Modulus E

149.989

GPa

Poisson Ratio ν

0.241

Pugh Ratio K/G

1.599

Vickers Hardness Est.

9.726

GPa

Ductility

Ductile

Anisotropy

0.502

Lame λ

56.304

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.200

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5020

Homogeneous Poisson ν

0.2410

Debye Temperature

738.8

Sound Velocity

4,539.4

m/s

Homogeneity

0.2410

Related Tasks

Related computation task IDs (2)

aaabvzhj aaadzqjn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-6241

Reference Citation

The crystal structure and related material properties of LiGa(SiO3)2 were obtained from the Materials Project database (MP-ID: mp-6241, 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_LiGa(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72647900
_cell_length_b   5.31479900
_cell_length_c   9.28348084
_cell_angle_alpha   78.17631207
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa(SiO3)2
_chemical_formula_sum   'Li4 Ga4 Si8 O24'
_cell_volume   421.42767212
_cell_formula_units_Z   4
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
  Li  Li0  1  0.00660600  0.98897600  0.24711800  1.0
  Li  Li1  1  0.50660600  0.51102400  0.75288200  1.0
  Li  Li2  1  0.99339400  0.01102400  0.75288200  1.0
  Li  Li3  1  0.49339400  0.48897600  0.24711800  1.0
  Ga  Ga4  1  0.64743200  0.98679200  0.25035600  1.0
  Ga  Ga5  1  0.85256800  0.48679200  0.25035600  1.0
  Ga  Ga6  1  0.35256800  0.01320800  0.74964400  1.0
  Ga  Ga7  1  0.14743200  0.51320800  0.74964400  1.0
  Si  Si8  1  0.66002900  0.77707400  0.95227500  1.0
  Si  Si9  1  0.66014400  0.20287900  0.54796900  1.0
  Si  Si10  1  0.16014400  0.29712100  0.45203100  1.0
  Si  Si11  1  0.33985600  0.79712100  0.45203100  1.0
  Si  Si12  1  0.83985600  0.70287900  0.54796900  1.0
  Si  Si13  1  0.16002900  0.72292600  0.04772500  1.0
  Si  Si14  1  0.83997100  0.27707400  0.95227500  1.0
  Si  Si15  1  0.33997100  0.22292600  0.04772500  1.0
  O  O16  1  0.98989100  0.69824800  0.11617600  1.0
  O  O17  1  0.16755800  0.79022700  0.86505100  1.0
  O  O18  1  0.66755800  0.70977300  0.13494900  1.0
  O  O19  1  0.83244200  0.20977300  0.13494900  1.0
  O  O20  1  0.33244200  0.29022700  0.86505100  1.0
  O  O21  1  0.66589800  0.26655800  0.36474900  1.0
  O  O22  1  0.16589800  0.23344200  0.63525100  1.0
  O  O23  1  0.33410200  0.73344200  0.63525100  1.0
  O  O24  1  0.83410200  0.76655800  0.36474900  1.0
  O  O25  1  0.26472100  0.46620200  0.10793500  1.0
  O  O26  1  0.48989100  0.80175200  0.88382400  1.0
  O  O27  1  0.01010900  0.30175200  0.88382400  1.0
  O  O28  1  0.72627800  0.91022500  0.60394200  1.0
  O  O29  1  0.22627800  0.58977500  0.39605800  1.0
  O  O30  1  0.27372200  0.08977500  0.39605800  1.0
  O  O31  1  0.77372200  0.41022500  0.60394200  1.0
  O  O32  1  0.73527900  0.53379800  0.89206500  1.0
  O  O33  1  0.76472100  0.03379800  0.89206500  1.0
  O  O34  1  0.49517900  0.22948800  0.62224300  1.0
  O  O35  1  0.23527900  0.96620200  0.10793500  1.0
  O  O36  1  0.00482100  0.72948800  0.62224300  1.0
  O  O37  1  0.50482100  0.77051200  0.37775700  1.0
  O  O38  1  0.99517900  0.27051200  0.37775700  1.0
  O  O39  1  0.51010900  0.19824800  0.11617600  1.0

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