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SiGeN2O

Elasticity Data ELA

MP-ID: mp-1020703 · Space group: Cm (#8)

Basic Information

Formula
SiGeN2O
MP-ID
mp-1020703
Elements
4
Sites
10
Density
3.6797
g/cm³
Volume
130.63
ų
Cell a
5.3783
Å
Cell b
5.3783
Å
Cell c
5.0340
Å
α Angle
89.75
°
β Angle
89.75
°
γ Angle
116.21
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
17.62 5.0338 43.1 (0,0,0,1)
18.39 4.8251 57.0 (1,0,-1,0)
19.44 4.5663 100.0 (1,-1,0,0)
25.48 3.4955 47.3 (1,0,-1,1)
25.66 3.4712 51.5 (1,0,-1,-1)
26.35 3.3821 12.4 (1,-1,0,1)
31.48 2.8415 20.2 (1,1,-2,0)
33.39 2.6835 52.5 (2,-1,-1,0)
35.67 2.5169 48.5 (0,0,0,2)
36.17 2.4832 26.7 (1,1,-2,1)
36.44 2.4658 34.4 (1,1,-2,-1)
37.27 2.4125 10.3 (2,0,-2,0)
37.94 2.3718 42.6 (2,-1,-1,1)
38.06 2.3642 23.7 (2,-1,-1,-1)
40.30 2.2380 8.3 (1,0,-1,2)
40.54 2.2252 3.7 (1,0,-1,-2)
40.94 2.2042 11.1 (1,-1,0,2)
41.39 2.1815 9.5 (2,0,-2,1)
41.63 2.1697 15.0 (2,0,-2,-1)
48.10 1.8918 4.1 (1,1,-2,2)
48.52 1.8764 8.2 (1,1,-2,-2)
49.12 1.8548 8.4 (2,1,-3,0)
49.56 1.8393 16.0 (2,-1,-1,2)
49.76 1.8322 10.2 (2,-1,-1,-2)
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Energy Properties

Formation Energy/atom
-1.21885
eV/atom
Energy/atom
-7.55342
eV/atom
Energy above Hull
0.1812
eV/atom
Uncorrected Energy
-7.4160
eV/atom
Volume/atom
13.06
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
3.464
eV
Direct Gap
Yes
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
117.612
GPa
GVRH
76.296
GPa
Young's Modulus E
188.194
GPa
Poisson Ratio ν
0.233
Pugh Ratio K/G
1.542
Vickers Hardness Est.
12.219
GPa
Ductility
Ductile
Anisotropy
0.717
Lame λ
66.748
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
N · 0.400
Element Family
Metalloid-Nonmetal
Solute Fraction
0.600
Interstitial Fraction
0.600

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7170
Homogeneous Poisson ν
0.2330
Debye Temperature
663.0
K
Sound Velocity
5,045.5
m/s
Homogeneity
0.2330

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1020703
Reference Citation

The crystal structure and related material properties of SiGeN2O were obtained from the Materials Project database (MP-ID: mp-1020703, 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_SiGeN2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37828227
_cell_length_b   5.37828227
_cell_length_c   5.03395739
_cell_angle_alpha   89.75093044
_cell_angle_beta   89.75093044
_cell_angle_gamma   116.21268660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGeN2O
_chemical_formula_sum   'Si2 Ge2 N4 O2'
_cell_volume   130.63279088
_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
  Si  Si0  1  0.66832800  0.01646700  0.59169700  1.0
  Si  Si1  1  0.01646700  0.66832800  0.59169700  1.0
  Ge  Ge2  1  0.96721900  0.32459700  0.08665300  1.0
  Ge  Ge3  1  0.32459700  0.96721900  0.08665300  1.0
  N  N4  1  0.06071200  0.65778700  0.25238000  1.0
  N  N5  1  0.65778700  0.06071200  0.25238000  1.0
  N  N6  1  0.88264800  0.33715900  0.73233600  1.0
  N  N7  1  0.33715900  0.88264800  0.73233600  1.0
  O  O8  1  0.25976300  0.25976300  0.13940900  1.0
  O  O9  1  0.80602100  0.80602100  0.66646000  1.0
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