Tb8Ge(PdPt7)3

高熵材料 HEA

MP-ID: mp-3295242 · Space group: Pmm2 (#25)

Materials Project API

Basic Information

Formula

Tb8Ge(PdPt7)3

MP-ID

mp-3295242

Elements

Sites

Density

16.6185

g/cm³

Volume

575.55

Å³

Cell a

8.3125

Cell b

8.2979

Cell c

8.3443

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmm2

Point Group

mm2

Crystal System

Orthorhombic

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 15)

2θ	d (Å)	I	hkl
10.64	8.3125	1.8	(1,0,0)
21.30	4.1721	1.4	(0,0,2)
37.45	2.4012	100.0	(2,2,2)
43.38	2.0861	17.7	(0,0,4)
43.55	2.0781	17.0	(4,0,0)
43.63	2.0745	16.9	(0,4,0)
44.94	2.0170	1.6	(3,2,2)
44.97	2.0160	1.1	(2,3,2)
63.15	1.4723	10.9	(4,0,4)
63.21	1.4710	10.8	(0,4,4)
63.35	1.4682	10.5	(4,4,0)
75.67	1.2569	12.0	(2,2,6)
75.91	1.2534	11.3	(6,2,2)
76.03	1.2518	11.2	(2,6,2)
79.90	1.2006	10.4	(4,4,4)

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Energy Properties

Formation Energy/atom

-1.09333

eV/atom

Energy/atom

-43.93596

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-43.9360

eV/atom

Volume/atom

17.44

Å³

c/a Ratio

1.0038

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0010

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.636

Element Family

5d-TM

Solute Fraction

0.364

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9551

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9407

J/mol·K

Ω Parameter

2.7627

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.844%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4994

smaller = more stable mixing

VEC

9.576

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.451

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6890

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmqc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295242

Reference Citation

The crystal structure and related material properties of Tb8Ge(PdPt7)3 were obtained from the Materials Project database (MP-ID: mp-3295242, 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_Tb8Ge(PdPt7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31249243
_cell_length_b   8.29784933
_cell_length_c   8.34427925
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb8Ge(PdPt7)3
_chemical_formula_sum   'Tb8 Ge1 Pd3 Pt21'
_cell_volume   575.55341730
_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  0.25252524  0.25254188  0.25311089  1.0
  Tb  Tb1  1  0.74732951  0.74729686  0.74684468  1.0
  Tb  Tb2  1  0.74747476  0.74745812  0.25311089  1.0
  Tb  Tb3  1  0.74732951  0.25270314  0.74684468  1.0
  Tb  Tb4  1  0.25267049  0.25270314  0.74684468  1.0
  Tb  Tb5  1  0.25252524  0.74745812  0.25311089  1.0
  Tb  Tb6  1  0.25267049  0.74729686  0.74684468  1.0
  Tb  Tb7  1  0.74747476  0.25254188  0.25311089  1.0
  Ge  Ge8  1  0.00000000  0.00000000  0.00054434  1.0
  Pd  Pd9  1  0.00000000  0.50000000  0.73959280  1.0
  Pd  Pd10  1  0.00000000  0.00000000  0.29070718  1.0
  Pd  Pd11  1  0.00000000  0.00000000  0.70970581  1.0
  Pt  Pt12  1  0.25965507  0.50000000  0.00002523  1.0
  Pt  Pt13  1  0.74034493  0.50000000  0.00002523  1.0
  Pt  Pt14  1  0.00000000  0.25949740  0.50004842  1.0
  Pt  Pt15  1  0.50000000  0.26019198  0.99995580  1.0
  Pt  Pt16  1  0.00000000  0.74050260  0.50004842  1.0
  Pt  Pt17  1  0.50000000  0.73980802  0.99995580  1.0
  Pt  Pt18  1  0.50000000  0.00000000  0.26016292  1.0
  Pt  Pt19  1  0.25896904  0.00000000  0.50017049  1.0
  Pt  Pt20  1  0.50000000  0.00000000  0.74014250  1.0
  Pt  Pt21  1  0.74103096  0.00000000  0.50017049  1.0
  Pt  Pt22  1  0.00000000  0.50000000  0.26028606  1.0
  Pt  Pt23  1  0.25211963  0.50000000  0.49985491  1.0
  Pt  Pt24  1  0.74788037  0.50000000  0.49985491  1.0
  Pt  Pt25  1  0.50000000  0.25252059  0.50003796  1.0
  Pt  Pt26  1  0.50000000  0.74747941  0.50003796  1.0
  Pt  Pt27  1  0.50000000  0.50000000  0.25269693  1.0
  Pt  Pt28  1  0.50000000  0.50000000  0.74702220  1.0
  Pt  Pt29  1  0.28954220  0.00000000  0.99994419  1.0
  Pt  Pt30  1  0.71045780  0.00000000  0.99994419  1.0
  Pt  Pt31  1  0.00000000  0.29042008  0.99962250  1.0
  Pt  Pt32  1  0.00000000  0.70957992  0.99962250  1.0

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