HfGeO4

Elasticity Data ELA

MP-ID: mp-9755 · Space group: I4_1/a (#88)

Materials Project API

Basic Information

Formula

HfGeO4

MP-ID

mp-9755

Elements

Sites

Density

8.5182

g/cm³

Volume

122.86

Å³

Cell a

4.8416

Cell b

4.8416

Cell c

6.2603

α Angle

112.75

β Angle

112.75

γ Angle

90.00

Space Group

I4_1/a

Point Group

4/m

Crystal System

Tetragonal

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
20.20	4.3954	11.4	(1,0,-1)
20.20	4.3954	34.3	(0,1,-1)
31.21	2.8663	100.0	(1,-1,1)
31.21	2.8663	100.0	(1,1,-2)
31.58	2.8334	4.9	(1,0,-2)
31.58	2.8334	4.9	(1,0,1)
34.22	2.6207	30.4	(0,0,2)
37.14	2.4208	40.6	(2,0,-1)
42.64	2.1205	12.4	(2,-1,-1)
42.64	2.1205	4.1	(2,1,-1)
43.49	2.0810	2.3	(1,-1,2)
47.25	1.9239	3.6	(1,0,-3)
47.25	1.9239	3.6	(1,0,2)
49.53	1.8405	9.3	(2,-1,-2)
49.53	1.8405	3.1	(2,1,0)
51.38	1.7782	14.8	(2,0,-3)
51.38	1.7782	44.4	(0,2,-3)
53.53	1.7118	14.1	(2,-2,0)
53.53	1.7118	14.1	(2,2,-2)
57.80	1.5951	2.1	(0,3,-2)
59.39	1.5562	16.7	(1,-1,-3)
59.39	1.5562	16.7	(1,-1,3)
61.57	1.5062	2.1	(2,-1,-3)
61.57	1.5062	1.5	(1,2,-4)

Get direct link

Energy Properties

Formation Energy/atom

-3.05788

eV/atom

Energy/atom

-8.78656

eV/atom

Energy above Hull

0.0304

eV/atom

Uncorrected Energy

-16.7004

eV/atom

Volume/atom

10.24

Å³

c/a Ratio

1.2930

Electronic Properties

Metallic

Non-metal

Band Gap

4.138

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

213.567

GPa

G_VRH

93.452

GPa

Young's Modulus E

244.669

GPa

Poisson Ratio ν

0.309

Pugh Ratio K/G

2.285

Vickers Hardness Est.

7.811

GPa

Ductility

Brittle

Anisotropy

0.357

Lame λ

151.266

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3570

Homogeneous Poisson ν

0.3090

Debye Temperature

547.6

Sound Velocity

3,704.0

m/s

Homogeneity

0.3090

Related Tasks

Related computation task IDs (6)

aaabnkrk aaadjric aaadspcl aaaekmje aaaenove aaafwysi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9755

Reference Citation

The crystal structure and related material properties of HfGeO4 were obtained from the Materials Project database (MP-ID: mp-9755, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_HfGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84160141
_cell_length_b   4.84160125
_cell_length_c   6.26032908
_cell_angle_alpha   112.74863628
_cell_angle_beta   112.74864109
_cell_angle_gamma   90.00001286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeO4
_chemical_formula_sum   'Hf2 Ge2 O8'
_cell_volume   122.86172068
_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  0.37500000  0.12500000  0.75000000  1.0
  Hf  Hf1  1  0.62500000  0.87500000  0.25000000  1.0
  Ge  Ge2  1  0.87500000  0.62500000  0.75000000  1.0
  Ge  Ge3  1  0.12500000  0.37500000  0.25000000  1.0
  O  O4  1  0.31205218  0.46685098  0.08591008  1.0
  O  O5  1  0.61905910  0.81205218  0.58591008  1.0
  O  O6  1  0.96685098  0.27385790  0.58591008  1.0
  O  O7  1  0.77385790  0.11905910  0.08591008  1.0
  O  O8  1  0.22614210  0.88094090  0.91408992  1.0
  O  O9  1  0.03314902  0.72614210  0.41408992  1.0
  O  O10  1  0.38094090  0.18794782  0.41408992  1.0
  O  O11  1  0.68794782  0.53314902  0.91408992  1.0

Get direct link