Ge

传统材料 TRA

MP-ID: mp-1008733 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MP-ID

mp-1008733

Elements

Sites

Density

6.6082

g/cm³

Volume

36.51

Å³

Cell a

2.9761

Cell b

2.9911

Cell c

4.7276

α Angle

90.00

β Angle

90.00

γ Angle

119.83

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
34.57	2.5947	24.2	(0,1,0)
34.75	2.5817	48.1	(1,-1,0)
38.07	2.3638	74.5	(0,0,2)
39.62	2.2746	100.0	(0,1,1)
39.78	2.2658	98.6	(1,-1,1)
39.78	2.2658	98.6	(1,0,1)
52.36	1.7474	14.5	(0,1,2)
52.49	1.7434	14.5	(1,-1,2)
52.49	1.7434	14.5	(1,0,2)
62.06	1.4955	17.3	(1,-2,0)
62.06	1.4955	17.3	(1,1,0)
62.41	1.4881	17.0	(2,-1,0)
69.83	1.3469	18.1	(0,1,3)
69.94	1.3451	36.0	(1,-1,3)
72.92	1.2973	2.7	(0,2,0)
73.34	1.2908	2.6	(2,-2,0)
73.34	1.2908	2.6	(2,0,0)
75.18	1.2638	19.5	(1,-2,2)
75.18	1.2638	19.5	(1,1,2)
75.49	1.2593	19.3	(2,-1,2)
76.08	1.2511	14.1	(0,2,1)
76.50	1.2453	13.9	(2,-2,1)
76.50	1.2453	13.9	(2,0,1)
81.43	1.1819	7.9	(0,0,4)

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Energy Properties

Formation Energy/atom

0.33114

eV/atom

Energy/atom

-13.54084

eV/atom

Energy above Hull

0.3311

eV/atom

Uncorrected Energy

-4.2919

eV/atom

Volume/atom

18.25

Å³

c/a Ratio

1.5885

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

62.978

GPa

G_VRH

-3.418

GPa

Young's Modulus E

GPa

Poisson Ratio ν

Pugh Ratio K/G

-18.425

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-7.965

Lame λ

65.257

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 1.000

Element Family

N/A

Solute Fraction

0.000

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.373

Family

Pure Metal

Matrix Element

Ge · 1.000

Related Tasks

Related computation task IDs (6)

aaadiudj aaadmqpe aaadrgsk aaaeumvn aaafanpc aaafdeae

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1008733

Reference Citation

The crystal structure and related material properties of Ge were obtained from the Materials Project database (MP-ID: mp-1008733, 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_Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97610585
_cell_length_b   2.99110634
_cell_length_c   4.72759579
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.83425322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge
_chemical_formula_sum   Ge2
_cell_volume   36.50683001
_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
  Ge  Ge0  1  0.33344763  0.66689426  0.25000000  1.0
  Ge  Ge1  1  0.66655237  0.33310574  0.75000000  1.0

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