TaMnGe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079643 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

TaMnGe

MP-ID

mp-1079643

Elements

Sites

Density

11.2217

g/cm³

Volume

136.96

Å³

Cell a

6.5628

Cell b

6.5628

Cell c

3.6720

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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
15.59	5.6835	7.9	(1,0,-1,0)
15.59	5.6835	7.9	(1,-1,0,0)
15.59	5.6835	7.9	(0,1,-1,0)
24.24	3.6720	46.3	(0,0,0,1)
27.18	3.2814	21.6	(2,-1,-1,0)
27.18	3.2814	21.7	(1,1,-2,0)
27.18	3.2814	21.7	(1,-2,1,0)
28.95	3.0843	1.9	(1,-1,0,1)
31.48	2.8418	26.3	(2,0,-2,0)
31.48	2.8418	26.3	(2,-2,0,0)
31.48	2.8418	26.2	(0,2,-2,0)
36.73	2.4468	100.0	(2,-1,-1,1)
36.73	2.4468	100.0	(1,1,-2,1)
36.73	2.4468	100.0	(1,-2,1,1)
40.12	2.2474	96.8	(2,0,-2,1)
40.12	2.2474	96.8	(2,-2,0,1)
40.12	2.2474	96.7	(0,2,-2,1)
42.06	2.1482	18.9	(3,-1,-2,0)
42.06	2.1482	37.7	(3,-2,-1,0)
42.06	2.1482	18.9	(1,2,-3,0)
42.06	2.1482	18.9	(2,-3,1,0)
42.06	2.1482	18.9	(1,-3,2,0)
48.02	1.8945	19.2	(3,0,-3,0)
48.02	1.8945	19.2	(3,-3,0,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.26135

eV/atom

Energy/atom

-8.81201

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.0705

eV/atom

Volume/atom

15.22

Å³

c/a Ratio

0.5595

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.9710

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.065500

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ta · 0.333

Element Family

5d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

1.7032

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.133%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2295

smaller = more stable mixing

VEC

5.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.762

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Ta-rich Multi-Component

Matrix Element

Ta · 0.333

Related Tasks

Related computation task IDs (5)

aaadmipr aaadsssj aaaelszy aaaeuqav aaafxhwx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079643

Reference Citation

The crystal structure and related material properties of TaMnGe were obtained from the Materials Project database (MP-ID: mp-1079643, 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_TaMnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56277024
_cell_length_b   6.56275958
_cell_length_c   3.67198646
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998102
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnGe
_chemical_formula_sum   'Ta3 Mn3 Ge3'
_cell_volume   136.96370014
_cell_formula_units_Z   3
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
  Ta  Ta0  1  0.41636683  0.41635101  0.50000000  1.0
  Ta  Ta1  1  0.58360395  -0.00000372  0.50000000  1.0
  Ta  Ta2  1  0.00001671  0.58366054  0.50000000  1.0
  Mn  Mn3  1  0.75083262  0.75082644  -0.00000000  1.0
  Mn  Mn4  1  0.24917661  0.00000048  -0.00000000  1.0
  Mn  Mn5  1  0.00000672  0.24917258  -0.00000000  1.0
  Ge  Ge6  1  0.66666722  0.33333230  -0.00000000  1.0
  Ge  Ge7  1  0.33333294  0.66666358  -0.00000000  1.0
  Ge  Ge8  1  0.99999540  -0.00000323  0.50000000  1.0

Get direct link