TmNiGe3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079044 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

TmNiGe3

MP-ID

mp-1079044

Elements

Sites

Density

8.4833

g/cm³

Volume

174.42

Å³

Cell a

10.8866

Cell b

10.8866

Cell c

4.0405

α Angle

90.00

β Angle

90.00

γ Angle

158.64

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

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
8.26	10.6980	5.7	(1,-1,0)
16.57	5.3490	7.1	(2,-2,0)
23.54	3.7799	1.1	(1,-1,1)
25.36	3.5121	8.5	(2,-1,0)
27.67	3.2241	3.6	(2,-2,1)
30.45	2.9358	5.1	(3,-2,0)
33.51	2.6745	10.5	(4,-4,0)
33.52	2.6736	25.7	(3,-3,1)
33.82	2.6507	100.0	(2,-1,1)
36.89	2.4365	7.4	(4,-3,0)
37.88	2.3751	12.8	(3,-2,1)
40.45	2.2302	5.8	(4,-4,1)
42.24	2.1396	1.7	(5,-5,0)
43.37	2.0865	8.8	(4,-3,1)
44.22	2.0483	21.9	(5,-4,0)
44.87	2.0202	24.0	(0,0,2)
44.93	2.0176	23.9	(1,1,0)
48.12	1.8909	4.5	(5,-5,1)
49.92	1.8270	4.5	(5,-4,1)
52.21	1.7522	3.1	(6,-5,0)
52.24	1.7512	2.5	(2,-1,2)
53.58	1.7103	1.2	(3,-1,1)
55.19	1.6643	1.9	(3,-2,2)
56.41	1.6312	7.8	(6,-6,1)

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Energy Properties

Formation Energy/atom

-0.53724

eV/atom

Energy/atom

-5.36359

eV/atom

Energy above Hull

0.0053

eV/atom

Uncorrected Energy

-18.3163

eV/atom

Volume/atom

17.44

Å³

c/a Ratio

0.3711

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.600

Element Family

PostTransition-Noble

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

17.1403

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.914%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2965

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.662

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.531

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.600

Related Tasks

Related computation task IDs (5)

aaadncec aaadstuz aaaelrat aaaeubxu aaafcplg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079044

Reference Citation

The crystal structure and related material properties of TmNiGe3 were obtained from the Materials Project database (MP-ID: mp-1079044, 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_TmNiGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88663286
_cell_length_b   10.88663286
_cell_length_c   4.04046509
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   158.63917934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNiGe3
_chemical_formula_sum   'Tm2 Ni2 Ge6'
_cell_volume   174.42398004
_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
  Tm  Tm0  1  0.16842993  0.83157007  0.50000000  1.0
  Tm  Tm1  1  0.83157007  0.16842993  0.50000000  1.0
  Ni  Ni2  1  0.38898707  0.61101293  -0.00000000  1.0
  Ni  Ni3  1  0.61101293  0.38898707  -0.00000000  1.0
  Ge  Ge4  1  0.28354714  0.71645286  0.00000000  1.0
  Ge  Ge5  1  0.71645286  0.28354714  -0.00000000  1.0
  Ge  Ge6  1  0.44249327  0.55750673  0.50000000  1.0
  Ge  Ge7  1  0.55750673  0.44249327  0.50000000  1.0
  Ge  Ge8  1  0.05763584  0.94236416  0.00000000  1.0
  Ge  Ge9  1  0.94236416  0.05763584  -0.00000000  1.0

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