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Ge3N2

Elasticity Data ELA

MP-ID: mp-971694 · Space group: Pm-3m (#221)

Basic Information

Formula
Ge3N2
MP-ID
mp-971694
Elements
2
Sites
20
Density
4.5881
g/cm³
Volume
356.04
ų
Cell a
7.0876
Å
Cell b
7.0876
Å
Cell c
7.0876
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic P
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
12.49 7.0876 4.6 (1,0,0)
17.70 5.0117 56.2 (1,1,0)
21.72 4.0920 17.7 (1,1,1)
25.13 3.5438 8.9 (2,0,0)
28.15 3.1697 55.9 (2,1,0)
30.90 2.8935 32.4 (2,1,1)
35.84 2.5058 5.8 (2,2,0)
38.09 2.3625 100.0 (3,0,0)
42.29 2.1370 12.0 (3,1,1)
44.27 2.0460 5.2 (2,2,2)
48.03 1.8942 19.3 (3,2,1)
51.58 1.7719 1.7 (4,0,0)
53.29 1.7190 15.8 (3,2,2)
54.96 1.6706 55.5 (4,1,1)
58.21 1.5848 8.3 (4,2,0)
59.79 1.5466 4.8 (4,2,1)
64.40 1.4468 5.5 (4,2,2)
67.37 1.3900 8.8 (4,3,1)
68.83 1.3640 20.6 (3,3,3)
71.71 1.3161 9.9 (5,2,0)
73.13 1.2940 10.3 (5,2,1)
77.34 1.2338 9.2 (5,2,2)
78.73 1.2155 2.3 (5,3,0)
80.11 1.1980 5.6 (5,3,1)
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Energy Properties

Formation Energy/atom
0.04732
eV/atom
Energy/atom
-11.92737
eV/atom
Energy above Hull
0.1821
eV/atom
Uncorrected Energy
-5.9553
eV/atom
Volume/atom
17.80
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.375
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
99.291
GPa
GVRH
52.658
GPa
Young's Modulus E
134.243
GPa
Poisson Ratio ν
0.275
Pugh Ratio K/G
1.886
Vickers Hardness Est.
6.679
GPa
Ductility
Brittle
Anisotropy
0.014
Lame λ
64.186
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.600
Element Family
PostTransition-Noble
Solute Fraction
0.400
Interstitial Fraction
0.400

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0140
Homogeneous Poisson ν
0.2750
Debye Temperature
430.0
K
Sound Velocity
3,772.2
m/s
Homogeneity
0.2750

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-971694
Reference Citation

The crystal structure and related material properties of Ge3N2 were obtained from the Materials Project database (MP-ID: mp-971694, 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_Ge3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08758300
_cell_length_b   7.08758300
_cell_length_c   7.08758300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3N2
_chemical_formula_sum   'Ge12 N8'
_cell_volume   356.03645925
_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
  Ge  Ge0  1  0.32327200  0.32327200  0.00000000  1.0
  Ge  Ge1  1  0.67672800  0.67672800  0.00000000  1.0
  Ge  Ge2  1  0.67672800  0.32327200  0.00000000  1.0
  Ge  Ge3  1  0.32327200  0.67672800  0.00000000  1.0
  Ge  Ge4  1  0.00000000  0.32327200  0.67672800  1.0
  Ge  Ge5  1  0.00000000  0.67672800  0.32327200  1.0
  Ge  Ge6  1  0.00000000  0.67672800  0.67672800  1.0
  Ge  Ge7  1  0.00000000  0.32327200  0.32327200  1.0
  Ge  Ge8  1  0.32327200  0.00000000  0.67672800  1.0
  Ge  Ge9  1  0.67672800  0.00000000  0.32327200  1.0
  Ge  Ge10  1  0.32327200  0.00000000  0.32327200  1.0
  Ge  Ge11  1  0.67672800  0.00000000  0.67672800  1.0
  N  N12  1  0.22234900  0.22234900  0.77765100  1.0
  N  N13  1  0.77765100  0.77765100  0.77765100  1.0
  N  N14  1  0.77765100  0.22234900  0.22234900  1.0
  N  N15  1  0.22234900  0.77765100  0.22234900  1.0
  N  N16  1  0.77765100  0.77765100  0.22234900  1.0
  N  N17  1  0.22234900  0.22234900  0.22234900  1.0
  N  N18  1  0.22234900  0.77765100  0.77765100  1.0
  N  N19  1  0.77765100  0.22234900  0.77765100  1.0
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