Tm3(GePd)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-9694 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Tm3(GePd)4

MP-ID

mp-9694

Elements

Sites

Density

10.1846

g/cm³

Volume

199.41

Å³

Cell a

4.1164

Cell b

7.0382

Cell c

7.9996

α Angle

116.10

β Angle

104.91

γ Angle

90.00

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
12.86	6.8829	4.4	(0,0,1)
14.13	6.2666	1.3	(0,1,-1)
22.54	3.9439	2.3	(1,0,0)
23.14	3.8438	5.6	(0,1,-2)
25.06	3.5533	2.2	(1,-1,0)
25.31	3.5191	4.6	(0,2,-1)
28.27	3.1574	7.9	(1,-1,1)
28.27	3.1574	2.6	(1,1,-2)
28.49	3.1333	3.2	(0,2,-2)
29.14	3.0641	2.8	(1,0,1)
34.15	2.6258	29.1	(1,-2,1)
34.15	2.6258	87.3	(1,-2,0)
35.00	2.5640	35.4	(0,1,-3)
36.34	2.4721	100.0	(1,-1,2)
38.98	2.3109	6.4	(1,-2,2)
38.98	2.3109	19.2	(1,2,0)
39.27	2.2943	18.3	(0,0,3)
39.37	2.2885	6.5	(1,0,2)
39.37	2.2885	6.5	(1,0,-3)
43.32	2.0889	19.7	(0,3,-3)
43.32	2.0889	19.7	(0,3,0)
43.99	2.0582	44.7	(2,0,-1)
44.45	2.0383	1.0	(1,-3,1)
44.45	2.0383	1.0	(1,3,-2)

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Energy Properties

Formation Energy/atom

-0.88424

eV/atom

Energy/atom

-5.67143

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.9207

eV/atom

Volume/atom

18.13

Å³

c/a Ratio

1.9434

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 · 0.364

Element Family

PostTransition-Noble

Solute Fraction

0.636

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0901

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0628

J/mol·K

Ω Parameter

2.0554

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.163%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3893

smaller = more stable mixing

VEC

8.636

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.059

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9922

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.409

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.364

Related Tasks

Related computation task IDs (5)

aaadnczr aaadrjqp aaaekuvv aaaeubyw aaafcdht

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9694

Reference Citation

The crystal structure and related material properties of Tm3(GePd)4 were obtained from the Materials Project database (MP-ID: mp-9694, 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_Tm3(GePd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11640680
_cell_length_b   7.03816920
_cell_length_c   7.99963506
_cell_angle_alpha   116.09786322
_cell_angle_beta   104.90914240
_cell_angle_gamma   90.00000497
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3(GePd)4
_chemical_formula_sum   'Tm3 Ge4 Pd4'
_cell_volume   199.41051016
_cell_formula_units_Z   1
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  0.87470940  0.37470940  0.74941780  1.0
  Tm  Tm1  1  0.12529060  0.62529060  0.25058220  1.0
  Tm  Tm2  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Ge  Ge3  1  0.50000000  0.68811292  0.00000000  1.0
  Ge  Ge4  1  0.50000000  0.31188708  1.00000000  1.0
  Ge  Ge5  1  0.21891924  0.21891924  0.43783748  1.0
  Ge  Ge6  1  0.78108076  0.78108076  0.56216252  1.0
  Pd  Pd7  1  0.32459948  0.62373064  0.64919896  1.0
  Pd  Pd8  1  0.67540052  0.97453168  0.35080104  1.0
  Pd  Pd9  1  0.32459948  0.02546832  0.64919896  1.0
  Pd  Pd10  1  0.67540052  0.37626936  0.35080104  1.0

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