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Sr3TaGa3(SiO7)2

Elasticity Data ELA

MP-ID: mp-16136 · Space group: P321 (#150)

Basic Information

Formula
Sr3TaGa3(SiO7)2
MP-ID
mp-16136
Elements
5
Sites
23
Density
4.9291
g/cm³
Volume
314.36
ų
Cell a
8.4122
Å
Cell b
8.4122
Å
Cell c
5.1295
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P321
Point Group
32
Crystal System
Trigonal
Bravais Lattice
Trigonal P
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.15 7.2852 45.1 (1,0,-1,0)
17.29 5.1295 4.6 (0,0,0,1)
21.12 4.2061 5.6 (2,-1,-1,0)
21.18 4.1942 8.8 (1,0,-1,1)
24.44 3.6426 18.3 (2,0,-2,0)
27.42 3.2525 63.5 (2,-1,-1,1)
30.09 2.9699 100.0 (2,0,-2,1)
32.52 2.7535 16.9 (3,-1,-2,0)
34.99 2.5648 14.2 (0,0,0,2)
37.02 2.4284 14.3 (3,0,-3,0)
37.06 2.4261 27.3 (3,-1,-2,1)
37.16 2.4192 5.7 (1,0,-1,2)
41.13 2.1949 4.2 (3,0,-3,1)
43.01 2.1031 5.1 (4,-2,-2,0)
43.14 2.0971 16.1 (2,0,-2,2)
44.86 2.0205 11.1 (4,-1,-3,0)
46.68 1.9459 12.5 (4,-2,-2,1)
48.42 1.8800 5.5 (4,-1,-3,1)
48.42 1.8800 2.7 (3,1,-4,1)
48.51 1.8768 20.9 (3,-1,-2,2)
50.08 1.8213 2.5 (4,-4,0,0)
50.08 1.8213 5.0 (4,0,-4,0)
51.85 1.7634 15.8 (3,0,-3,2)
54.94 1.6713 4.6 (5,-2,-3,0)
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Energy Properties

Formation Energy/atom
-3.09899
eV/atom
Energy/atom
-7.71423
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-7.2961
eV/atom
Volume/atom
13.67
ų
c/a Ratio
0.6098

Electronic Properties

Metallic
Non-metal
Band Gap
3.854
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
93.461
GPa
GVRH
46.289
GPa
Young's Modulus E
119.190
GPa
Poisson Ratio ν
0.287
Pugh Ratio K/G
2.019
Vickers Hardness Est.
5.285
GPa
Ductility
Brittle
Anisotropy
0.065
Lame λ
62.602
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.609
Element Family
Metalloid-Nonmetal
Solute Fraction
0.391
Interstitial Fraction
0.087

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0650
Homogeneous Poisson ν
0.2870
Debye Temperature
544.0
K
Sound Velocity
3,417.5
m/s
Homogeneity
0.2870

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-16136
Reference Citation

The crystal structure and related material properties of Sr3TaGa3(SiO7)2 were obtained from the Materials Project database (MP-ID: mp-16136, 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…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Sr3TaGa3(SiO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41219425
_cell_length_b   8.41219425
_cell_length_c   5.12950300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000201
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3TaGa3(SiO7)2
_chemical_formula_sum   'Sr3 Ta1 Ga3 Si2 O14'
_cell_volume   314.35798537
_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
  Sr  Sr0  1  0.57375100  0.57375100  0.00000000  1.0
  Sr  Sr1  1  0.42624900  0.00000000  0.00000000  1.0
  Sr  Sr2  1  0.00000000  0.42624900  0.00000000  1.0
  Ta  Ta3  1  0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga4  1  0.25586100  0.25586100  0.50000000  1.0
  Ga  Ga5  1  0.00000000  0.74413900  0.50000000  1.0
  Ga  Ga6  1  0.74413900  0.00000000  0.50000000  1.0
  Si  Si7  1  0.33333300  0.66666700  0.53526700  1.0
  Si  Si8  1  0.66666700  0.33333300  0.46473300  1.0
  O  O9  1  0.09636600  0.22165500  0.23012200  1.0
  O  O10  1  0.77834500  0.87471200  0.23012200  1.0
  O  O11  1  0.12528800  0.90363400  0.23012200  1.0
  O  O12  1  0.87471200  0.77834500  0.76987800  1.0
  O  O13  1  0.90363400  0.12528800  0.76987800  1.0
  O  O14  1  0.22165500  0.09636600  0.76987800  1.0
  O  O15  1  0.31032700  0.47609300  0.66991000  1.0
  O  O16  1  0.52390700  0.83423300  0.66991000  1.0
  O  O17  1  0.16576700  0.68967300  0.66991000  1.0
  O  O18  1  0.33333300  0.66666700  0.22117300  1.0
  O  O19  1  0.66666700  0.33333300  0.77882700  1.0
  O  O20  1  0.47609300  0.31032700  0.33009000  1.0
  O  O21  1  0.68967300  0.16576700  0.33009000  1.0
  O  O22  1  0.83423300  0.52390700  0.33009000  1.0
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