Tb4Ho(GeB4)2

High-Entropy Materials HEA

MP-ID: mp-3296324 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Tb4Ho(GeB4)2

MP-ID

mp-3296324

Elements

Sites

Density

7.9862

g/cm³

Volume

429.32

Å³

Cell a

7.2562

Cell b

7.2562

Cell c

8.1540

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
10.85	8.1540	11.8	(0,0,1)
20.45	4.3427	5.3	(1,1,1)
21.80	4.0770	7.9	(0,0,2)
24.54	3.6281	9.3	(2,0,0)
26.90	3.3148	17.8	(2,0,1)
27.49	3.2451	36.0	(2,1,0)
27.95	3.1920	11.3	(1,1,2)
29.63	3.0151	16.1	(2,1,1)
32.95	2.7180	19.3	(0,0,3)
33.05	2.7103	67.4	(2,0,2)
34.98	2.5655	17.0	(2,2,0)
35.35	2.5390	100.0	(2,1,2)
36.72	2.4472	2.4	(2,2,1)
39.26	2.2946	33.6	(3,1,0)
40.85	2.2088	8.5	(3,1,1)
41.59	2.1713	1.1	(2,2,2)
43.43	2.0837	3.3	(2,1,3)
44.44	2.0385	16.5	(0,0,4)
45.05	2.0125	5.5	(3,2,0)
46.48	1.9539	1.4	(3,2,1)
48.81	1.8656	7.4	(2,2,3)
51.42	1.7772	1.2	(2,0,4)
51.96	1.7599	21.4	(4,1,0)
52.17	1.7533	17.4	(3,1,3)

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Energy Properties

Formation Energy/atom

-0.79505

eV/atom

Energy/atom

-17.08184

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.0818

eV/atom

Volume/atom

14.31

Å³

c/a Ratio

1.1237

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0046

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

11.9156

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.305%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4292

smaller = more stable mixing

VEC

5.267

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.558

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8201

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfofs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296324

Reference Citation

The crystal structure and related material properties of Tb4Ho(GeB4)2 were obtained from the Materials Project database (MP-ID: mp-3296324, 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_Tb4Ho(GeB4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25617863
_cell_length_b   7.25617863
_cell_length_c   8.15398689
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4Ho(GeB4)2
_chemical_formula_sum   'Tb8 Ho2 Ge4 B16'
_cell_volume   429.32476440
_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
  Tb  Tb0  1  0.68056181  0.18056181  0.22227185  1.0
  Tb  Tb1  1  0.31943819  0.81943819  0.77772815  1.0
  Tb  Tb2  1  0.31943819  0.81943819  0.22227185  1.0
  Tb  Tb3  1  0.81943819  0.68056181  0.22227185  1.0
  Tb  Tb4  1  0.81943819  0.68056181  0.77772815  1.0
  Tb  Tb5  1  0.68056181  0.18056181  0.77772815  1.0
  Tb  Tb6  1  0.18056181  0.31943819  0.77772815  1.0
  Tb  Tb7  1  0.18056181  0.31943819  0.22227185  1.0
  Ho  Ho8  1  0.00000000  0.00000000  0.50000000  1.0
  Ho  Ho9  1  0.50000000  0.50000000  0.50000000  1.0
  Ge  Ge10  1  0.11993472  0.61993472  0.50000000  1.0
  Ge  Ge11  1  0.88006528  0.38006528  0.50000000  1.0
  Ge  Ge12  1  0.38006528  0.11993472  0.50000000  1.0
  Ge  Ge13  1  0.61993472  0.88006528  0.50000000  1.0
  B  B14  1  0.17147908  0.03960785  0.00000000  1.0
  B  B15  1  0.82852092  0.96039215  0.00000000  1.0
  B  B16  1  0.96039215  0.17147908  0.00000000  1.0
  B  B17  1  0.32852092  0.53960785  0.00000000  1.0
  B  B18  1  0.03960785  0.82852092  0.00000000  1.0
  B  B19  1  0.67147908  0.46039215  0.00000000  1.0
  B  B20  1  0.53960785  0.67147908  0.00000000  1.0
  B  B21  1  0.46039215  0.32852092  0.00000000  1.0
  B  B22  1  0.09160626  0.59160626  0.00000000  1.0
  B  B23  1  0.90839374  0.40839374  0.00000000  1.0
  B  B24  1  0.40839374  0.09160626  0.00000000  1.0
  B  B25  1  0.59160626  0.90839374  0.00000000  1.0
  B  B26  1  0.00000000  0.00000000  0.16093319  1.0
  B  B27  1  0.00000000  0.00000000  0.83906681  1.0
  B  B28  1  0.50000000  0.50000000  0.83906681  1.0
  B  B29  1  0.50000000  0.50000000  0.16093319  1.0

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