TmAgGe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078772 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

TmAgGe

MP-ID

mp-1078772

Elements

Sites

Density

9.7354

g/cm³

Volume

178.81

Å³

Cell a

7.0489

Cell b

7.0489

Cell c

4.1555

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
21.38	4.1555	1.1	(0,0,0,1)
25.27	3.5245	5.1	(2,-1,-1,0)
25.94	3.4351	2.6	(1,0,-1,1)
25.94	3.4351	1.3	(1,-1,0,1)
29.26	3.0523	10.7	(2,0,-2,0)
33.33	2.6879	100.0	(2,-1,-1,1)
36.53	2.4600	86.9	(2,0,-2,1)
39.04	2.3073	47.1	(3,-1,-2,0)
43.56	2.0777	28.0	(0,0,0,2)
44.53	2.0348	18.4	(3,0,-3,0)
44.94	2.0172	10.6	(3,-1,-2,1)
51.03	1.7899	1.7	(2,-1,-1,2)
51.89	1.7622	1.7	(4,-2,-2,0)
53.34	1.7176	4.2	(2,0,-2,2)
54.17	1.6931	4.6	(3,1,-4,0)
54.17	1.6931	9.2	(4,-1,-3,0)
56.74	1.6224	1.7	(4,-2,-2,1)
58.90	1.5679	23.4	(4,-1,-3,1)
59.91	1.5440	26.1	(3,-1,-2,2)
60.68	1.5261	1.9	(4,0,-4,0)
64.05	1.4538	12.2	(3,0,-3,2)
65.11	1.4326	1.4	(4,0,-4,1)
66.80	1.4005	1.1	(5,-2,-3,0)
70.01	1.3439	2.1	(4,-2,-2,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.62744

eV/atom

Energy/atom

-4.61026

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.1497

eV/atom

Volume/atom

19.87

Å³

c/a Ratio

0.5895

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

Tm · 0.333

Element Family

Lanthanide

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

2.2934

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.924%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3410

smaller = more stable mixing

VEC

9.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.661

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

Tm-rich Multi-Component

Matrix Element

Tm · 0.333

Related Tasks

Related computation task IDs (5)

aaadncfx aaadsrgn aaaemaov aaaeucuh aaafskhi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078772

Reference Citation

The crystal structure and related material properties of TmAgGe were obtained from the Materials Project database (MP-ID: mp-1078772, 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_TmAgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04890499
_cell_length_b   7.04890499
_cell_length_c   4.15545231
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmAgGe
_chemical_formula_sum   'Tm3 Ag3 Ge3'
_cell_volume   178.81018886
_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
  Tm  Tm0  1  0.41644205  0.41644205  0.50000000  1.0
  Tm  Tm1  1  0.58355795  0.00000000  0.50000000  1.0
  Tm  Tm2  1  0.00000000  0.58355795  0.50000000  1.0
  Ag  Ag3  1  0.74818868  0.74818868  -0.00000000  1.0
  Ag  Ag4  1  0.25181132  0.00000000  -0.00000000  1.0
  Ag  Ag5  1  0.00000000  0.25181132  0.00000000  1.0
  Ge  Ge6  1  0.66666700  0.33333300  -0.00000000  1.0
  Ge  Ge7  1  0.33333300  0.66666700  0.00000000  1.0
  Ge  Ge8  1  0.00000000  -0.00000000  0.50000000  1.0

Get direct link