TbY3(HoPt)4

高熵材料 HEA

MP-ID: mp-3293566 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

TbY3(HoPt)4

MP-ID

mp-3293566

Elements

Sites

Density

10.4481

g/cm³

Volume

296.52

Å³

Cell a

4.7829

Cell b

7.0993

Cell c

8.7327

α Angle

89.90

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
10.13	8.7327	2.0	(0,0,1)
12.47	7.0993	1.3	(0,1,0)
16.08	5.5134	3.2	(0,1,1)
16.10	5.5039	2.9	(0,1,-1)
20.34	4.3663	19.6	(0,0,2)
21.18	4.1949	24.1	(1,0,1)
23.91	3.7221	3.3	(0,1,2)
23.95	3.7163	5.5	(0,1,-2)
24.64	3.6129	9.4	(1,1,1)
24.66	3.6102	3.2	(1,1,-1)
25.09	3.5496	14.4	(0,2,0)
27.10	3.2904	5.8	(0,2,1)
27.13	3.2863	3.9	(0,2,-1)
30.43	2.9375	37.4	(1,1,2)
30.46	2.9346	37.8	(1,1,-2)
31.38	2.8504	38.6	(1,2,0)
32.48	2.7567	12.6	(0,2,2)
32.54	2.7519	12.1	(0,2,-2)
33.04	2.7109	46.7	(1,2,1)
33.07	2.7086	46.2	(1,2,-1)
33.24	2.6950	6.2	(0,1,3)
33.29	2.6916	6.1	(0,1,-3)
36.12	2.4866	100.0	(1,0,3)
37.61	2.3915	75.7	(2,0,0)

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Energy Properties

Formation Energy/atom

-1.05050

eV/atom

Energy/atom

-36.85413

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.8541

eV/atom

Volume/atom

24.71

Å³

c/a Ratio

1.8258

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1165

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000390

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.333

Element Family

Lanthanide

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

0.8040

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.937%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5056

smaller = more stable mixing

VEC

8.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-24.522

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkdq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293566

Reference Citation

The crystal structure and related material properties of TbY3(HoPt)4 were obtained from the Materials Project database (MP-ID: mp-3293566, 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_TbY3(HoPt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78292123
_cell_length_b   7.09928068
_cell_length_c   8.73269535
_cell_angle_alpha   89.89851046
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbY3(HoPt)4
_chemical_formula_sum   'Tb1 Y3 Ho4 Pt4'
_cell_volume   296.52082761
_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  0.99210532  0.33286968  1.0
  Y  Y1  1  0.25000000  0.49082863  0.16825582  1.0
  Y  Y2  1  0.75000000  0.00889475  0.66894678  1.0
  Y  Y3  1  0.75000000  0.50850575  0.83161384  1.0
  Ho  Ho4  1  0.25000000  0.85695257  0.91847355  1.0
  Ho  Ho5  1  0.25000000  0.35679529  0.58121919  1.0
  Ho  Ho6  1  0.75000000  0.14224497  0.08170006  1.0
  Ho  Ho7  1  0.75000000  0.64376494  0.41814145  1.0
  Pt  Pt8  1  0.25000000  0.25482495  0.90843956  1.0
  Pt  Pt9  1  0.25000000  0.75533598  0.59094188  1.0
  Pt  Pt10  1  0.75000000  0.74461913  0.09094743  1.0
  Pt  Pt11  1  0.75000000  0.24512771  0.40844976  1.0

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