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HEAS Data Platform · Materials Science Database

SrYSi4N7

Elasticity Data ELA

MP-ID: mp-6606 · Space group: P6_3mc (#186)

Basic Information

Formula
SrYSi4N7
MP-ID
mp-6606
Elements
4
Sites
26
Density
4.0841
g/cm³
Volume
314.63
ų
Cell a
6.0615
Å
Cell b
6.0615
Å
Cell c
9.8881
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
No
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
16.89 5.2494 11.0 (1,0,-1,0)
17.94 4.9441 4.3 (0,0,0,2)
19.14 4.6365 9.5 (1,0,-1,1)
24.74 3.5991 7.8 (1,0,-1,2)
29.47 3.0307 62.5 (2,-1,-1,0)
32.06 2.7914 100.0 (1,0,-1,3)
34.16 2.6247 4.8 (2,0,-2,0)
34.16 2.6247 2.4 (2,-2,0,0)
34.72 2.5839 86.5 (2,-1,-1,2)
35.38 2.5368 43.2 (2,0,-2,1)
35.38 2.5368 21.6 (2,-2,0,1)
36.34 2.4720 7.4 (0,0,0,4)
38.85 2.3183 8.0 (2,0,-2,2)
40.33 2.2365 2.7 (1,0,-1,4)
44.11 2.0532 15.9 (2,0,-2,3)
45.73 1.9841 1.4 (3,-1,-2,0)
46.69 1.9453 1.8 (2,1,-3,1)
46.69 1.9453 3.6 (3,-1,-2,1)
49.24 1.8507 11.3 (1,0,-1,5)
49.50 1.8413 4.1 (3,-1,-2,2)
49.50 1.8413 2.0 (3,-2,-1,2)
50.73 1.7995 1.7 (2,0,-2,4)
52.28 1.7498 12.0 (3,0,-3,0)
53.94 1.6999 23.3 (3,-1,-2,3)
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Energy Properties

Formation Energy/atom
-1.49830
eV/atom
Energy/atom
-11.84104
eV/atom
Energy above Hull
0.0012
eV/atom
Uncorrected Energy
-8.0381
eV/atom
Volume/atom
12.10
ų
c/a Ratio
1.6313

Electronic Properties

Metallic
Non-metal
Band Gap
2.752
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0026
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
170.189
GPa
GVRH
102.310
GPa
Young's Modulus E
255.693
GPa
Poisson Ratio ν
0.250
Pugh Ratio K/G
1.663
Vickers Hardness Est.
13.529
GPa
Ductility
Ductile
Anisotropy
0.008
Lame λ
101.982
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
N · 0.538
Element Family
Metalloid-Nonmetal
Solute Fraction
0.462
Interstitial Fraction
0.846

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0080
Homogeneous Poisson ν
0.2500
Debye Temperature
784.7
K
Sound Velocity
5,556.3
m/s
Homogeneity
0.2500

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-6606
Reference Citation

The crystal structure and related material properties of SrYSi4N7 were obtained from the Materials Project database (MP-ID: mp-6606, 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_SrYSi4N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06146913
_cell_length_b   6.06146913
_cell_length_c   9.88814400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999051
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYSi4N7
_chemical_formula_sum   'Sr2 Y2 Si8 N14'
_cell_volume   314.63081198
_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
  Sr  Sr0  1  0.66666700  0.33333300  0.58140800  1.0
  Sr  Sr1  1  0.33333300  0.66666700  0.08140800  1.0
  Y  Y2  1  0.66666700  0.33333300  0.95053300  1.0
  Y  Y3  1  0.33333300  0.66666700  0.45053300  1.0
  Si  Si4  1  0.17397600  0.34795100  0.75984900  1.0
  Si  Si5  1  0.82602400  0.17397600  0.25984900  1.0
  Si  Si6  1  0.34795100  0.17397600  0.25984900  1.0
  Si  Si7  1  0.65204900  0.82602400  0.75984900  1.0
  Si  Si8  1  0.17397600  0.82602400  0.75984900  1.0
  Si  Si9  1  0.82602400  0.65204900  0.25984900  1.0
  Si  Si10  1  0.00000000  0.00000000  0.02746500  1.0
  Si  Si11  1  0.00000000  0.00000000  0.52746500  1.0
  N  N12  1  0.00000000  0.00000000  0.83670000  1.0
  N  N13  1  0.00000000  0.00000000  0.33670000  1.0
  N  N14  1  0.84710300  0.69420600  0.08728900  1.0
  N  N15  1  0.15289700  0.84710300  0.58728900  1.0
  N  N16  1  0.69420600  0.84710300  0.58728900  1.0
  N  N17  1  0.30579400  0.15289700  0.08728900  1.0
  N  N18  1  0.84710300  0.15289700  0.08728900  1.0
  N  N19  1  0.15289700  0.30579400  0.58728900  1.0
  N  N20  1  0.48844200  0.51155800  0.81176700  1.0
  N  N21  1  0.97688500  0.48844200  0.31176700  1.0
  N  N22  1  0.51155800  0.02311500  0.31176700  1.0
  N  N23  1  0.48844200  0.97688500  0.81176700  1.0
  N  N24  1  0.51155800  0.48844200  0.31176700  1.0
  N  N25  1  0.02311500  0.51155800  0.81176700  1.0
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