Th3Ge2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-314 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Th3Ge2

MP-ID

mp-314

Elements

Sites

Density

10.5011

g/cm³

Volume

266.10

Å³

Cell a

4.1633

Cell b

7.9947

Cell c

7.9947

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
15.68	5.6531	2.5	(0,1,1)
24.90	3.5753	25.7	(0,2,1)
26.59	3.3523	25.5	(1,1,1)
31.01	2.8835	85.7	(1,2,0)
31.66	2.8266	24.4	(0,2,2)
33.02	2.7124	100.0	(1,2,1)
35.51	2.5281	55.2	(0,3,1)
40.69	2.2173	5.7	(0,3,2)
41.80	2.1609	3.1	(1,3,1)
43.47	2.0817	22.7	(2,0,0)
46.85	1.9390	17.7	(0,4,1)
48.30	1.8844	3.5	(0,3,3)
50.66	1.8018	3.0	(1,4,0)
50.75	1.7990	8.1	(2,2,1)
51.09	1.7877	6.7	(0,4,2)
52.03	1.7577	23.1	(1,4,1)
53.37	1.7167	26.2	(1,3,3)
54.77	1.6762	10.8	(2,2,2)
55.98	1.6426	2.9	(1,4,2)
57.33	1.6070	28.5	(2,3,1)
58.90	1.5679	1.4	(0,5,1)
61.06	1.5177	3.5	(2,3,2)
62.19	1.4926	1.0	(1,5,0)
63.39	1.4673	19.0	(1,5,1)

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Energy Properties

Formation Energy/atom

-0.75473

eV/atom

Energy/atom

-50.38868

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-50.3887

eV/atom

Volume/atom

26.61

Å³

c/a Ratio

1.9203

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

85.628

GPa

G_VRH

46.181

GPa

Young's Modulus E

117.432

GPa

Poisson Ratio ν

0.271

Pugh Ratio K/G

1.854

Vickers Hardness Est.

6.141

GPa

Ductility

Brittle

Anisotropy

0.391

Lame λ

54.841

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Th · 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

Th · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3910

Homogeneous Poisson ν

0.2710

Debye Temperature

417.9

Sound Velocity

2,334.1

m/s

Homogeneity

0.2710

Related Tasks

Related computation task IDs (5)

aaadmxzs aaadsnua aaaemqhq aaaeucgj aaafieur

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-314

Reference Citation

The crystal structure and related material properties of Th3Ge2 were obtained from the Materials Project database (MP-ID: mp-314, 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_Th3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16334055
_cell_length_b   7.99468087
_cell_length_c   7.99468087
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Ge2
_chemical_formula_sum   'Th6 Ge4'
_cell_volume   266.09958740
_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
  Th  Th0  1  0.50000000  0.67779417  0.82220583  1.0
  Th  Th1  1  0.50000000  0.82220583  0.32220583  1.0
  Th  Th2  1  0.50000000  0.32220583  0.17779417  1.0
  Th  Th3  1  0.50000000  0.17779417  0.67779417  1.0
  Th  Th4  1  0.00000000  0.50000000  0.50000000  1.0
  Th  Th5  1  0.00000000  0.00000000  -0.00000000  1.0
  Ge  Ge6  1  -0.00000000  0.62029994  0.12029994  1.0
  Ge  Ge7  1  0.00000000  0.87970006  0.62029994  1.0
  Ge  Ge8  1  -0.00000000  0.12029994  0.37970006  1.0
  Ge  Ge9  1  0.00000000  0.37970006  0.87970006  1.0

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