Tb3Ho8ErNi4

High-Entropy Materials HEA

MP-ID: mp-3296584 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Tb3Ho8ErNi4

MP-ID

mp-3296584

Elements

Sites

Density

8.9755

g/cm³

Volume

406.69

Å³

Cell a

6.2908

Cell b

6.7735

Cell c

9.5443

α Angle

90.00

β Angle

89.94

γ Angle

90.05

Space Group

Point Group

Crystal System

Triclinic

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
16.87	5.2551	1.7	(1,0,1)
16.89	5.2499	1.6	(1,0,-1)
26.31	3.3868	1.3	(0,2,0)
26.87	3.3175	8.6	(1,-1,2)
26.89	3.3159	8.4	(1,1,2)
26.90	3.3148	8.7	(1,-1,-2)
26.91	3.3134	8.3	(1,1,-2)
27.95	3.1918	11.0	(0,2,-1)
27.95	3.1917	11.1	(0,2,1)
28.37	3.1454	31.6	(2,0,0)
29.95	2.9832	21.8	(1,-2,0)
29.98	2.9810	21.1	(1,2,0)
31.34	2.8538	35.1	(2,-1,0)
31.37	2.8519	36.2	(2,1,0)
31.41	2.8478	21.8	(1,-2,1)
31.42	2.8469	21.4	(1,-2,-1)
31.44	2.8458	22.2	(1,2,1)
31.44	2.8450	22.2	(1,2,-1)
31.50	2.8403	100.0	(1,0,3)
31.53	2.8378	99.6	(1,0,-3)
32.42	2.7620	51.3	(0,2,-2)
32.42	2.7619	51.4	(0,2,2)
32.74	2.7349	32.6	(2,-1,1)
32.76	2.7335	32.9	(2,-1,-1)

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Energy Properties

Formation Energy/atom

-0.24923

eV/atom

Energy/atom

-27.66063

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.6606

eV/atom

Volume/atom

25.42

Å³

c/a Ratio

1.5172

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.8162

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004470

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1803

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.8131

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.611%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3121

smaller = more stable mixing

VEC

10.438

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8514

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfops

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296584

Reference Citation

The crystal structure and related material properties of Tb3Ho8ErNi4 were obtained from the Materials Project database (MP-ID: mp-3296584, 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_Tb3Ho8ErNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29082170
_cell_length_b   6.77352072
_cell_length_c   9.54431386
_cell_angle_alpha   90.00182130
_cell_angle_beta   89.93823310
_cell_angle_gamma   90.05143844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Ho8ErNi4
_chemical_formula_sum   'Tb3 Ho8 Er1 Ni4'
_cell_volume   406.69246359
_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
  Tb  Tb0  1  0.86177247  0.53359503  0.24960758  1.0
  Tb  Tb1  1  0.63902136  0.03376155  0.24993560  1.0
  Tb  Tb2  1  0.13882051  0.46691662  0.75028117  1.0
  Ho  Ho3  1  0.18171629  0.17522703  0.43243523  1.0
  Ho  Ho4  1  0.68085136  0.32427430  0.56837864  1.0
  Ho  Ho5  1  0.81764500  0.82458371  0.93220765  1.0
  Ho  Ho6  1  0.68064885  0.32415656  0.93201710  1.0
  Ho  Ho7  1  0.81767505  0.82444618  0.56828214  1.0
  Ho  Ho8  1  0.31877892  0.67616225  0.43190515  1.0
  Ho  Ho9  1  0.18207433  0.17520741  0.06749261  1.0
  Ho  Ho10  1  0.36026111  0.96499538  0.75013565  1.0
  Er  Er11  1  0.31892938  0.67613951  0.06798791  1.0
  Ni  Ni12  1  0.05482282  0.89150936  0.24961147  1.0
  Ni  Ni13  1  0.44576470  0.39232219  0.24944262  1.0
  Ni  Ni14  1  0.94801819  0.10755310  0.74990342  1.0
  Ni  Ni15  1  0.55319965  0.60915081  0.75037704  1.0

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