SiGeN2O

弹性数据 ELA

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

Materials Project API

Basic Information

Formula

SiGeN2O

MP-ID

mp-1020703

Elements

Sites

Density

3.6797

g/cm³

Volume

130.63

Å³

Cell a

5.3783

Cell b

5.3783

Cell c

5.0340

α Angle

89.75

β Angle

89.75

γ Angle

116.21

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
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

Å³

c/a Ratio

0.9360

Electronic Properties

Metallic

Non-metal

Band Gap

3.464

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

117.612

GPa

G_VRH

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

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

N · 0.400

Element Family

Metalloid-Nonmetal

Solute Fraction

0.600

Interstitial Fraction

0.600

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.7170

Homogeneous Poisson ν

0.2330

Debye Temperature

663.0

Sound Velocity

5,045.5

m/s

Homogeneity

0.2330

Related Tasks

Related computation task IDs (6)

aaaclmfm aaadocyi aaadvrag aaadxeze aaaepdgf aaafbami

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

3D Crystal Structure Rendering

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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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