Tb16Ho4(Ir3Pt)3

High-Entropy Materials HEA

MP-ID: mp-3296852 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

Tb16Ho4(Ir3Pt)3

MP-ID

mp-3296852

Elements

Sites

Density

12.0667

g/cm³

Volume

759.32

Å³

Cell a

10.9254

Cell b

10.9254

Cell c

6.3614

α Angle

90.01

β Angle

90.01

γ Angle

90.21

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
11.43	7.7399	3.2	(1,-1,0)
11.48	7.7110	2.6	(1,1,0)
16.23	5.4627	13.8	(2,0,0)
22.93	3.8787	20.1	(2,-1,-1)
22.93	3.8784	19.1	(2,-1,1)
22.97	3.8717	19.6	(2,1,-1)
22.98	3.8709	18.6	(2,1,1)
22.98	3.8699	8.1	(2,-2,0)
23.07	3.8555	8.1	(2,2,0)
28.05	3.1807	5.6	(0,0,2)
29.24	3.0540	9.6	(1,0,-2)
29.25	3.0538	10.6	(1,0,2)
29.39	3.0388	37.7	(3,-1,-1)
29.39	3.0385	34.8	(3,-1,1)
29.44	3.0337	40.0	(3,1,-1)
29.45	3.0331	33.9	(3,1,1)
32.57	2.7489	10.9	(0,2,-2)
32.57	2.7489	10.9	(2,0,-2)
32.58	2.7485	21.4	(2,0,2)
32.69	2.7396	33.2	(3,-2,-1)
32.69	2.7395	33.8	(3,-2,1)
32.78	2.7321	28.6	(3,2,-1)
32.79	2.7316	34.6	(3,2,1)
33.60	2.6669	38.6	(2,-1,-2)

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Energy Properties

Formation Energy/atom

-0.97645

eV/atom

Energy/atom

-40.25288

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.2529

eV/atom

Volume/atom

23.73

Å³

c/a Ratio

0.5823

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.5149

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000680

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 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

1.1852

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.8537

J/mol·K

Ω Parameter

7.4478

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.537%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5316

smaller = more stable mixing

VEC

9.344

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.637

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8549

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfpaa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296852

Reference Citation

The crystal structure and related material properties of Tb16Ho4(Ir3Pt)3 were obtained from the Materials Project database (MP-ID: mp-3296852, 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_Tb16Ho4(Ir3Pt)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92540931
_cell_length_b   10.92540988
_cell_length_c   6.36136532
_cell_angle_alpha   90.00956239
_cell_angle_beta   90.00955858
_cell_angle_gamma   90.21410952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb16Ho4(Ir3Pt)3
_chemical_formula_sum   'Tb16 Ho4 Ir9 Pt3'
_cell_volume   759.31634428
_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  0.29352515  0.08630275  0.37827294  1.0
  Tb  Tb1  1  0.29263155  0.90815838  0.88308408  1.0
  Tb  Tb2  1  0.70469280  0.08985891  0.88048044  1.0
  Tb  Tb3  1  0.70316833  0.90878824  0.37921771  1.0
  Tb  Tb4  1  0.58461277  0.78993235  0.88572488  1.0
  Tb  Tb5  1  0.58543908  0.20889473  0.38539457  1.0
  Tb  Tb6  1  0.40982882  0.79023652  0.38520828  1.0
  Tb  Tb7  1  0.41336879  0.20919874  0.88426784  1.0
  Tb  Tb8  1  0.21006765  0.41538723  0.61427512  1.0
  Tb  Tb9  1  0.20976348  0.59017118  0.11479172  1.0
  Tb  Tb10  1  0.79110527  0.41456092  0.11460543  1.0
  Tb  Tb11  1  0.79080126  0.58663121  0.61573216  1.0
  Tb  Tb12  1  0.91369725  0.70647485  0.12172706  1.0
  Tb  Tb13  1  0.91014109  0.29530720  0.61951956  1.0
  Tb  Tb14  1  0.09184162  0.70736845  0.61691592  1.0
  Tb  Tb15  1  0.09121176  0.29683167  0.12078229  1.0
  Ho  Ho16  1  0.00041286  0.99785297  0.49943388  1.0
  Ho  Ho17  1  0.00214703  0.99958714  0.00056612  1.0
  Ho  Ho18  1  0.49984277  0.49918676  0.00061998  1.0
  Ho  Ho19  1  0.50081324  0.50015723  0.49938002  1.0
  Ir  Ir20  1  0.15035237  0.84964763  0.25000000  1.0
  Ir  Ir21  1  0.65318902  0.34681098  0.75000000  1.0
  Ir  Ir22  1  0.65418170  0.65226757  0.24910711  1.0
  Ir  Ir23  1  0.34773243  0.34581830  0.25089289  1.0
  Ir  Ir24  1  0.34809760  0.65190240  0.75000000  1.0
  Ir  Ir25  1  0.49985636  0.99966129  0.12678912  1.0
  Ir  Ir26  1  0.49975736  0.99960524  0.62861298  1.0
  Ir  Ir27  1  0.00039476  0.50024264  0.87138702  1.0
  Ir  Ir28  1  0.00033871  0.50014364  0.37321088  1.0
  Pt  Pt29  1  0.84889825  0.15110175  0.25000000  1.0
  Pt  Pt30  1  0.84667999  0.84858910  0.75089007  1.0
  Pt  Pt31  1  0.15141090  0.15332001  0.74910993  1.0

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