Tb4Tm8Co5Pb

高熵材料 HEA

MP-ID: mp-3295954 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Tb4Tm8Co5Pb

MP-ID

mp-3295954

Elements

Sites

Density

9.7076

g/cm³

Volume

425.77

Å³

Cell a

8.2122

Cell b

8.2122

Cell c

8.2122

α Angle

110.57

β Angle

110.85

γ Angle

107.03

Space Group

Immm

Point Group

mmm

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 24)

2θ	d (Å)	I	hkl
13.11	6.7554	1.4	(1,0,-1)
23.14	3.8430	2.7	(1,0,-2)
23.19	3.8362	1.3	(2,-1,0)
26.44	3.3715	5.8	(0,2,-2)
27.01	3.3013	2.0	(0,0,2)
29.04	3.0746	5.5	(2,1,-2)
29.05	3.0734	17.2	(1,2,-2)
30.09	2.9703	24.9	(2,-1,-2)
30.18	2.9608	1.4	(1,-2,2)
30.23	2.9569	5.6	(1,-1,-2)
30.31	2.9486	14.2	(1,-1,2)
30.31	2.9486	14.2	(2,-2,1)
32.74	2.7350	100.0	(3,-1,-1)
34.96	2.5664	47.6	(1,2,-3)
35.49	2.5294	46.1	(2,0,-3)
35.57	2.5242	3.3	(0,2,-3)
35.85	2.5048	13.2	(1,0,-3)
35.90	2.5017	25.5	(0,1,-3)
36.81	2.4416	13.5	(2,2,-2)
38.50	2.3385	7.8	(2,-2,-2)
38.64	2.3303	19.2	(2,-2,2)
39.34	2.2901	3.6	(2,2,-3)
40.12	2.2477	3.9	(0,3,-3)
40.84	2.2094	1.3	(2,-1,-3)

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Energy Properties

Formation Energy/atom

-0.25085

eV/atom

Energy/atom

-29.60254

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.6025

eV/atom

Volume/atom

23.65

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9276

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002180

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.444

Element Family

Lanthanide

Solute Fraction

0.556

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0686

J/mol·K

Ω Parameter

11.9424

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.900%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3733

smaller = more stable mixing

VEC

10.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.429

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8736

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnrm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295954

Reference Citation

The crystal structure and related material properties of Tb4Tm8Co5Pb were obtained from the Materials Project database (MP-ID: mp-3295954, 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_Tb4Tm8Co5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21223563
_cell_length_b   8.21223560
_cell_length_c   8.21223605
_cell_angle_alpha   110.56788334
_cell_angle_beta   110.84553325
_cell_angle_gamma   107.02766129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4Tm8Co5Pb
_chemical_formula_sum   'Tb4 Tm8 Co5 Pb1'
_cell_volume   425.76503013
_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  0.28687302  0.18527849  0.47215052  1.0
  Tb  Tb1  1  0.71312698  0.81472151  0.52784948  1.0
  Tb  Tb2  1  0.28687302  0.81472151  0.10159353  1.0
  Tb  Tb3  1  0.71312698  0.18527849  0.89840647  1.0
  Tm  Tm4  1  0.62010600  0.31258706  0.30751894  1.0
  Tm  Tm5  1  0.37989400  0.68741294  0.69248106  1.0
  Tm  Tm6  1  0.00506812  0.31258706  0.69248106  1.0
  Tm  Tm7  1  0.99493188  0.68741294  0.30751894  1.0
  Tm  Tm8  1  0.21197641  0.40793235  0.19595594  1.0
  Tm  Tm9  1  0.78802359  0.59206765  0.80404406  1.0
  Tm  Tm10  1  0.21197641  0.01602046  0.80404406  1.0
  Tm  Tm11  1  0.78802359  0.98397954  0.19595594  1.0
  Co  Co12  1  0.00000000  0.38039566  0.38039566  1.0
  Co  Co13  1  1.00000000  0.61960434  0.61960434  1.0
  Co  Co14  1  0.38846274  0.88846274  0.50000000  1.0
  Co  Co15  1  0.61153726  0.11153726  0.50000000  1.0
  Co  Co16  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb17  1  0.50000000  0.50000000  0.00000000  1.0

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