Tb3Yb(AlPt)4

高熵材料 HEA

MP-ID: mp-3293709 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Tb3Yb(AlPt)4

MP-ID

mp-3293709

Elements

Sites

Density

10.9015

g/cm³

Volume

234.28

Å³

Cell a

4.3995

Cell b

6.8819

Cell c

7.7384

α Angle

90.51

β Angle

90.00

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
17.17	5.1653	3.9	(0,1,-1)
17.32	5.1196	3.8	(0,1,1)
22.99	3.8690	10.0	(0,0,2)
25.89	3.4408	2.4	(0,2,0)
26.32	3.3855	33.3	(0,1,-2)
26.53	3.3597	32.9	(0,1,2)
26.61	3.3493	47.9	(1,1,-1)
26.72	3.3367	52.6	(1,1,1)
28.29	3.1545	8.9	(0,2,-1)
28.48	3.1336	7.6	(0,2,1)
33.05	2.7103	1.9	(1,2,0)
33.40	2.6831	42.1	(1,1,-2)
33.56	2.6702	42.5	(1,1,2)
34.73	2.5827	8.2	(0,2,-2)
35.00	2.5636	100.0	(1,2,-1)
35.06	2.5598	9.2	(0,2,2)
35.16	2.5523	95.5	(1,2,1)
37.11	2.4224	12.3	(0,1,-3)
37.34	2.4082	12.4	(0,1,3)
40.54	2.2251	42.9	(1,0,3)
40.93	2.2047	8.5	(0,3,-1)
41.03	2.1997	66.8	(2,0,0)
41.14	2.1939	9.0	(0,3,1)
42.61	2.1220	22.3	(1,1,-3)

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Energy Properties

Formation Energy/atom

-1.26727

eV/atom

Energy/atom

-31.52460

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.5246

eV/atom

Volume/atom

19.52

Å³

c/a Ratio

1.7589

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0026

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.333

Element Family

PostTransition-Noble

Solute Fraction

0.667

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

0.7967

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.576%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4832

smaller = more stable mixing

VEC

7.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-20.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkjd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293709

Reference Citation

The crystal structure and related material properties of Tb3Yb(AlPt)4 were obtained from the Materials Project database (MP-ID: mp-3293709, 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_Tb3Yb(AlPt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39946386
_cell_length_b   6.88191384
_cell_length_c   7.73836350
_cell_angle_alpha   90.51364025
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Yb(AlPt)4
_chemical_formula_sum   'Tb3 Yb1 Al4 Pt4'
_cell_volume   234.28293725
_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  0.25000000  0.03011921  0.31915819  1.0
  Tb  Tb1  1  0.25000000  0.53071575  0.17719142  1.0
  Tb  Tb2  1  0.75000000  0.96662648  0.68121213  1.0
  Yb  Yb3  1  0.75000000  0.47034490  0.82140120  1.0
  Al  Al4  1  0.25000000  0.14206447  0.93780508  1.0
  Al  Al5  1  0.25000000  0.63760166  0.56313727  1.0
  Al  Al6  1  0.75000000  0.85982952  0.06270717  1.0
  Al  Al7  1  0.75000000  0.36198817  0.43816057  1.0
  Pt  Pt8  1  0.25000000  0.27001653  0.61922821  1.0
  Pt  Pt9  1  0.25000000  0.77588560  0.88083669  1.0
  Pt  Pt10  1  0.75000000  0.72746778  0.37921572  1.0
  Pt  Pt11  1  0.75000000  0.22733994  0.11994734  1.0

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