TbNd8HoRu4

High-Entropy Materials HEA

MP-ID: mp-3295717 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

TbNd8HoRu4

MP-ID

mp-3295717

Elements

Sites

Density

8.0509

g/cm³

Volume

388.19

Å³

Cell a

6.5984

Cell b

7.2513

Cell c

8.8026

α Angle

95.75

β Angle

112.01

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
10.91	8.1131	9.6	(0,0,1)
14.49	6.1123	8.4	(1,0,-1)
19.42	4.5711	26.2	(1,-1,-1)
21.91	4.0566	1.1	(0,0,2)
24.70	3.6044	4.5	(0,2,0)
25.50	3.4934	4.8	(1,-1,-2)
25.94	3.4346	1.5	(0,2,-1)
27.03	3.2992	4.9	(2,0,-1)
28.16	3.1692	20.6	(0,2,1)
28.23	3.1616	47.9	(1,2,-1)
29.22	3.0562	2.7	(2,0,-2)
29.27	3.0509	19.4	(1,2,0)
29.78	2.9999	100.0	(2,1,-1)
30.70	2.9121	66.9	(1,0,-3)
30.70	2.9121	66.9	(1,0,2)
31.32	2.8559	44.8	(2,1,-2)
31.37	2.8519	44.0	(0,2,-2)
31.38	2.8510	49.4	(1,2,-2)
32.01	2.7960	35.1	(1,1,-3)
32.28	2.7734	51.4	(2,-1,-2)
33.13	2.7044	16.9	(0,0,3)
34.17	2.6241	54.4	(1,-2,-2)
34.31	2.6135	30.5	(1,-1,-3)
34.31	2.6135	30.5	(1,1,2)

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Energy Properties

Formation Energy/atom

-0.26856

eV/atom

Energy/atom

-28.92213

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.9221

eV/atom

Volume/atom

27.73

Å³

c/a Ratio

1.3341

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

μB

Mag. Ordering

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

Nd · 0.571

Element Family

Lanthanide

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0547

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7689

J/mol·K

Ω Parameter

0.7747

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.250%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4773

smaller = more stable mixing

VEC

5.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-19.538

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7608

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnij

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295717

Reference Citation

The crystal structure and related material properties of TbNd8HoRu4 were obtained from the Materials Project database (MP-ID: mp-3295717, 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_TbNd8HoRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59839577
_cell_length_b   7.25126374
_cell_length_c   8.80264157
_cell_angle_alpha   95.75459353
_cell_angle_beta   112.01173496
_cell_angle_gamma   89.99999557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNd8HoRu4
_chemical_formula_sum   'Tb1 Nd8 Ho1 Ru4'
_cell_volume   388.18622147
_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  0.42975715  0.75000000  1.00000000  1.0
  Nd  Nd1  1  0.97763597  0.91152686  0.18308652  1.0
  Nd  Nd2  1  0.79454945  0.58847314  0.81691348  1.0
  Nd  Nd3  1  0.02177641  0.08930291  0.81680733  1.0
  Nd  Nd4  1  0.20496908  0.41069709  0.18319267  1.0
  Nd  Nd5  1  0.63919310  0.81296670  0.42851973  1.0
  Nd  Nd6  1  0.21067337  0.68703330  0.57148027  1.0
  Nd  Nd7  1  0.36161190  0.18709777  0.57206834  1.0
  Nd  Nd8  1  0.78954356  0.31290223  0.42793166  1.0
  Ho  Ho9  1  0.56898640  0.25000000  0.00000000  1.0
  Ru  Ru10  1  0.82211315  0.57113307  0.21582610  1.0
  Ru  Ru11  1  0.60628705  0.92886693  0.78417390  1.0
  Ru  Ru12  1  0.17832468  0.42794575  0.78374594  1.0
  Ru  Ru13  1  0.39457874  0.07205425  0.21625406  1.0

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