Hf3Ge2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-976273 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Hf3Ge2

MP-ID

mp-976273

Elements

Sites

Density

12.1162

g/cm³

Volume

186.59

Å³

Cell a

7.1004

Cell b

7.1004

Cell c

3.7011

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

Crystal System

Tetragonal

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
28.10	3.1754	17.1	(2,1,0)
29.99	2.9792	22.7	(1,1,1)
35.02	2.5621	54.2	(2,0,1)
35.77	2.5104	15.8	(2,2,0)
37.31	2.4100	100.0	(2,1,1)
40.16	2.2454	53.7	(3,1,0)
43.56	2.0776	1.4	(2,2,1)
46.09	1.9693	2.6	(3,2,0)
47.35	1.9197	2.8	(3,1,1)
49.24	1.8506	19.1	(0,0,2)
51.48	1.7751	1.1	(4,0,0)
52.65	1.7385	1.5	(3,2,1)
53.19	1.7221	9.3	(4,1,0)
54.86	1.6736	4.2	(3,3,0)
57.59	1.6005	3.4	(4,0,1)
57.65	1.5989	4.8	(2,1,2)
58.10	1.5877	7.2	(4,2,0)
59.17	1.5614	16.7	(4,1,1)
60.74	1.5249	17.1	(3,3,1)
62.34	1.4896	6.4	(2,2,2)
63.79	1.4591	1.7	(4,2,1)
65.35	1.4281	25.7	(3,1,2)
67.23	1.3925	1.2	(5,1,0)
69.73	1.3486	1.5	(3,2,2)

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Energy Properties

Formation Energy/atom

-0.76585

eV/atom

Energy/atom

-33.40549

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.4055

eV/atom

Volume/atom

18.66

Å³

c/a Ratio

0.5213

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

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

133.921

GPa

G_VRH

84.987

GPa

Young's Modulus E

210.445

GPa

Poisson Ratio ν

0.238

Pugh Ratio K/G

1.576

Vickers Hardness Est.

12.799

GPa

Ductility

Ductile

Anisotropy

0.238

Lame λ

77.263

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Hf · 0.600

Element Family

N/A

Solute Fraction

0.400

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.667

Family

Binary Alloy

Matrix Element

Hf · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2380

Homogeneous Poisson ν

0.2380

Debye Temperature

329.5

Sound Velocity

2,936.2

m/s

Homogeneity

0.2380

Related Tasks

Related computation task IDs (5)

aaadnayy aaadslps aaaemqjl aaaetway aaafsdlz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-976273

Reference Citation

The crystal structure and related material properties of Hf3Ge2 were obtained from the Materials Project database (MP-ID: mp-976273, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Hf3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.10040584
_cell_length_b   7.10040584
_cell_length_c   3.70111906
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Ge2
_chemical_formula_sum   'Hf6 Ge4'
_cell_volume   186.59474171
_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
  Hf  Hf0  1  0.00000000  0.00000000  -0.00000000  1.0
  Hf  Hf1  1  0.49999900  0.49999900  -0.00000000  1.0
  Hf  Hf2  1  0.17003912  0.67003812  0.50000000  1.0
  Hf  Hf3  1  0.82996088  0.32996188  0.50000000  1.0
  Hf  Hf4  1  0.67003812  0.82996088  0.50000000  1.0
  Hf  Hf5  1  0.32996188  0.17003912  0.50000000  1.0
  Ge  Ge6  1  0.63054377  0.13054377  -0.00000000  1.0
  Ge  Ge7  1  0.36945623  0.86945723  0.00000000  1.0
  Ge  Ge8  1  0.13054377  0.36945623  0.00000000  1.0
  Ge  Ge9  1  0.86945723  0.63054377  -0.00000000  1.0

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