TmNiGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079976 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

TmNiGe2

MP-ID

mp-1079976

Elements

Sites

Density

8.8535

g/cm³

Volume

139.88

Å³

Cell a

4.0266

Cell b

4.1717

Cell c

8.5673

α Angle

90.00

β Angle

103.59

γ Angle

90.00

Space Group

Cmcm

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
10.62	8.3274	1.4	(0,0,1)
21.34	4.1637	3.5	(0,0,2)
22.72	3.9139	1.4	(1,0,-1)
23.86	3.7299	11.3	(0,1,1)
27.36	3.2595	4.9	(1,0,-2)
30.33	2.9470	4.1	(0,1,2)
31.34	2.8543	22.1	(1,1,-1)
32.25	2.7758	5.5	(0,0,3)
34.93	2.5685	100.0	(1,1,-2)
34.96	2.5666	41.5	(1,0,-3)
38.97	2.3110	27.1	(0,1,3)
41.30	2.1860	6.8	(1,1,-3)
43.38	2.0859	28.7	(0,2,0)
43.47	2.0818	1.7	(0,0,4)
45.03	2.0133	25.7	(2,0,-1)
48.89	1.8628	15.5	(0,1,4)
51.59	1.7717	3.1	(2,1,-2)
52.05	1.7569	1.8	(1,2,-2)
54.58	1.6815	12.9	(1,0,-5)
55.07	1.6675	2.5	(0,2,3)
55.26	1.6624	1.5	(2,1,-3)
56.46	1.6298	2.3	(2,0,-4)
56.88	1.6187	20.2	(1,2,-3)
59.25	1.5595	2.1	(1,1,-5)

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Energy Properties

Formation Energy/atom

-0.64879

eV/atom

Energy/atom

-5.52596

eV/atom

Energy above Hull

0.0294

eV/atom

Uncorrected Energy

-5.5260

eV/atom

Volume/atom

17.49

Å³

c/a Ratio

2.1277

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

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 · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

18.7077

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.883%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3173

smaller = more stable mixing

VEC

7.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.690

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.449

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadmkut aaaeujzh aaaezrlt aaaezxer aaafsklr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079976

Reference Citation

The crystal structure and related material properties of TmNiGe2 were obtained from the Materials Project database (MP-ID: mp-1079976, 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_TmNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02664200
_cell_length_b   4.17172100
_cell_length_c   8.56729552
_cell_angle_alpha   90.00000000
_cell_angle_beta   103.59166786
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNiGe2
_chemical_formula_sum   'Tm2 Ni2 Ge4'
_cell_volume   139.88338602
_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  0.89206300  0.75000000  0.78412600  1.0
  Tm  Tm1  1  0.10793700  0.25000000  0.21587400  1.0
  Ni  Ni2  1  0.67725100  0.75000000  0.35450200  1.0
  Ni  Ni3  1  0.32274900  0.25000000  0.64549800  1.0
  Ge  Ge4  1  0.54052700  0.75000000  0.08105400  1.0
  Ge  Ge5  1  0.45947300  0.25000000  0.91894600  1.0
  Ge  Ge6  1  0.25307700  0.75000000  0.50615400  1.0
  Ge  Ge7  1  0.74692300  0.25000000  0.49384600  1.0

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