Tm4Ge2B8Rh

High-Entropy Materials HEA

MP-ID: mp-3292648 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Tm4Ge2B8Rh

MP-ID

mp-3292648

Elements

Sites

Density

8.9785

g/cm³

Volume

373.74

Å³

Cell a

7.0668

Cell b

7.0668

Cell c

7.4839

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

Crystal System

Tetragonal

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
11.83	7.4839	8.6	(0,0,1)
17.75	4.9970	2.2	(1,1,0)
23.78	3.7420	14.7	(0,0,2)
25.20	3.5334	16.0	(2,0,0)
27.92	3.1952	4.8	(2,0,1)
28.24	3.1604	37.9	(2,1,0)
29.83	2.9952	5.8	(1,1,2)
30.71	2.9114	9.5	(2,1,1)
34.92	2.5691	47.6	(2,0,2)
35.94	2.4985	11.2	(2,2,0)
36.00	2.4946	6.7	(0,0,3)
37.24	2.4145	100.0	(2,1,2)
37.97	2.3699	1.1	(2,2,1)
40.36	2.2347	26.2	(3,1,0)
42.20	2.1413	5.0	(3,1,1)
43.56	2.0779	2.9	(2,2,2)
46.32	1.9600	4.2	(3,2,0)
47.38	1.9186	2.0	(3,1,2)
47.98	1.8960	1.2	(3,2,1)
48.67	1.8710	14.6	(0,0,4)
51.79	1.7653	2.3	(2,2,3)
53.46	1.7140	19.5	(4,1,0)
55.14	1.6657	9.0	(3,3,0)
55.18	1.6645	7.3	(3,1,3)

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Energy Properties

Formation Energy/atom

-0.79392

eV/atom

Energy/atom

-17.53627

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.5363

eV/atom

Volume/atom

12.46

Å³

c/a Ratio

1.0590

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7808

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002090

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.533

Element Family

Metalloid-Nonmetal

Solute Fraction

0.467

Interstitial Fraction

0.533

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.4523

J/mol·K

Ω Parameter

5.5742

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

30.014%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3618

smaller = more stable mixing

VEC

6.200

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.473

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8201

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiui

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292648

Reference Citation

The crystal structure and related material properties of Tm4Ge2B8Rh were obtained from the Materials Project database (MP-ID: mp-3292648, 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

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Raw CIF Data

# generated using pymatgen
data_Tm4Ge2B8Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06678236
_cell_length_b   7.06678236
_cell_length_c   7.48392459
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm4Ge2B8Rh
_chemical_formula_sum   'Tm8 Ge4 B16 Rh2'
_cell_volume   373.74280064
_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  0.67877784  0.17877784  0.23532961  1.0
  Tm  Tm1  1  0.32122216  0.82122216  0.76467039  1.0
  Tm  Tm2  1  0.32122216  0.82122216  0.23532961  1.0
  Tm  Tm3  1  0.82122216  0.67877784  0.23532961  1.0
  Tm  Tm4  1  0.82122216  0.67877784  0.76467039  1.0
  Tm  Tm5  1  0.67877784  0.17877784  0.76467039  1.0
  Tm  Tm6  1  0.17877784  0.32122216  0.76467039  1.0
  Tm  Tm7  1  0.17877784  0.32122216  0.23532961  1.0
  Ge  Ge8  1  0.12519399  0.62519399  0.50000000  1.0
  Ge  Ge9  1  0.87480601  0.37480601  0.50000000  1.0
  Ge  Ge10  1  0.37480601  0.12519399  0.50000000  1.0
  Ge  Ge11  1  0.62519399  0.87480601  0.50000000  1.0
  B  B12  1  0.17261689  0.04073596  0.00000000  1.0
  B  B13  1  0.82738311  0.95926404  0.00000000  1.0
  B  B14  1  0.95926404  0.17261689  0.00000000  1.0
  B  B15  1  0.32738311  0.54073596  0.00000000  1.0
  B  B16  1  0.04073596  0.82738311  0.00000000  1.0
  B  B17  1  0.67261689  0.45926404  0.00000000  1.0
  B  B18  1  0.54073596  0.67261689  0.00000000  1.0
  B  B19  1  0.45926404  0.32738311  0.00000000  1.0
  B  B20  1  0.08946989  0.58946989  0.00000000  1.0
  B  B21  1  0.91053011  0.41053011  0.00000000  1.0
  B  B22  1  0.41053011  0.08946989  0.00000000  1.0
  B  B23  1  0.58946989  0.91053011  0.00000000  1.0
  B  B24  1  0.00000000  0.00000000  0.17499984  1.0
  B  B25  1  0.00000000  0.00000000  0.82500016  1.0
  B  B26  1  0.50000000  0.50000000  0.82500016  1.0
  B  B27  1  0.50000000  0.50000000  0.17499984  1.0
  Rh  Rh28  1  0.00000000  0.00000000  0.50000000  1.0
  Rh  Rh29  1  0.50000000  0.50000000  0.50000000  1.0

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