BeGeN2

Elasticity Data ELA

MP-ID: mp-1019550 · Space group: Pna2_1 (#33)

Materials Project API

Basic Information

Formula

BeGeN2

MP-ID

mp-1019550

Elements

Sites

Density

4.9386

g/cm³

Volume

147.50

Å³

Cell a

5.1495

Cell b

5.9139

Cell c

4.8433

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pna2_1

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
22.90	3.8836	77.9	(1,1,0)
23.75	3.7470	100.0	(0,1,1)
29.48	3.0298	35.6	(1,1,1)
34.84	2.5748	20.7	(2,0,0)
34.99	2.5643	54.4	(1,2,0)
37.13	2.4216	53.0	(0,0,2)
38.12	2.3607	28.6	(2,1,0)
39.64	2.2735	42.6	(2,0,1)
39.78	2.2662	72.1	(1,2,1)
42.60	2.1221	8.2	(2,1,1)
44.07	2.0549	33.2	(1,1,2)
49.51	1.8410	11.3	(1,3,0)
49.95	1.8259	15.6	(0,3,1)
51.83	1.7640	7.3	(2,0,2)
51.94	1.7606	21.7	(1,2,2)
53.23	1.7209	6.2	(1,3,1)
54.27	1.6904	20.3	(2,1,2)
59.01	1.5652	7.1	(2,3,0)
59.21	1.5606	17.1	(3,1,1)
59.34	1.5574	8.1	(0,1,3)
62.28	1.4907	4.2	(1,1,3)
62.34	1.4894	2.9	(2,3,1)
62.57	1.4845	30.8	(3,2,0)
62.86	1.4785	15.3	(0,4,0)

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Energy Properties

Formation Energy/atom

-0.80184

eV/atom

Energy/atom

-7.06159

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-9.9121

eV/atom

Volume/atom

9.22

Å³

c/a Ratio

0.9405

Electronic Properties

Metallic

Non-metal

Band Gap

3.394

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

189.429

GPa

G_VRH

145.289

GPa

Young's Modulus E

347.121

GPa

Poisson Ratio ν

0.195

Pugh Ratio K/G

1.304

Vickers Hardness Est.

23.986

GPa

Ductility

Ductile

Anisotropy

0.112

Lame λ

92.570

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

N · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1120

Homogeneous Poisson ν

0.1950

Debye Temperature

849.5

Sound Velocity

5,984.5

m/s

Homogeneity

0.1950

Related Tasks

Related computation task IDs (4)

aaacgbjr aaadjsdl aaaduqmc aaaelmpi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1019550

Reference Citation

The crystal structure and related material properties of BeGeN2 were obtained from the Materials Project database (MP-ID: mp-1019550, 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_BeGeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14952454
_cell_length_b   5.91386655
_cell_length_c   4.84326978
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGeN2
_chemical_formula_sum   'Be4 Ge4 N8'
_cell_volume   147.49500505
_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
  Be  Be0  1  0.58017074  0.87486892  0.99015074  1.0
  Be  Be1  1  0.41982926  0.12513108  0.49015074  1.0
  Be  Be2  1  0.91982926  0.37486892  0.49015074  1.0
  Be  Be3  1  0.08017074  0.62513108  0.99015074  1.0
  Ge  Ge4  1  0.59032699  0.37548890  0.99068275  1.0
  Ge  Ge5  1  0.40967301  0.62451110  0.49068275  1.0
  Ge  Ge6  1  0.90967301  0.87548890  0.49068275  1.0
  Ge  Ge7  1  0.09032699  0.12451110  0.99068275  1.0
  N  N8  1  0.58917315  0.36750124  0.37645440  1.0
  N  N9  1  0.41082685  0.63249876  0.87645440  1.0
  N  N10  1  0.91082685  0.86750124  0.87645440  1.0
  N  N11  1  0.08917315  0.13249876  0.37645440  1.0
  N  N12  1  0.57350746  0.88285610  0.35671012  1.0
  N  N13  1  0.42649254  0.11714390  0.85671012  1.0
  N  N14  1  0.92649254  0.38285610  0.85671012  1.0
  N  N15  1  0.07350746  0.61714390  0.35671012  1.0

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