Tb7(DyPb2)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292942 · Space group: P312 (#149)

Materials Project API

Basic Information

Formula

Tb7(DyPb2)3

MP-ID

mp-3292942

Elements

Sites

Density

10.0441

g/cm³

Volume

470.05

Å³

Cell a

9.0345

Cell b

9.0345

Cell c

6.6497

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P312

Point Group

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
11.31	7.8241	7.7	(1,0,-1,0)
19.65	4.5173	1.2	(1,1,-2,0)
23.81	3.7366	8.1	(2,-1,-1,1)
26.81	3.3249	24.0	(0,0,0,2)
29.18	3.0600	10.0	(1,0,-1,2)
30.22	2.9572	24.3	(3,-1,-2,0)
33.15	2.7021	100.0	(3,-1,-2,1)
33.46	2.6777	73.2	(2,-1,-1,2)
34.39	2.6080	13.3	(0,3,-3,0)
34.39	2.6080	26.5	(3,0,-3,0)
35.43	2.5335	11.2	(2,0,-2,2)
41.62	2.1700	2.2	(1,3,-4,0)
41.62	2.1700	4.3	(4,-1,-3,0)
42.26	2.1386	7.8	(2,2,-4,1)
42.26	2.1386	3.9	(4,-2,-2,1)
43.89	2.0630	11.4	(3,1,-4,1)
43.89	2.0630	5.7	(4,-1,-3,1)
45.59	1.9899	1.6	(2,-1,-1,3)
48.74	1.8683	15.7	(4,-2,-2,2)
51.53	1.7737	9.7	(1,2,-3,3)
51.53	1.7737	19.5	(3,-1,-2,3)
52.83	1.7330	4.7	(3,2,-5,1)
52.83	1.7330	2.4	(5,-2,-3,1)
53.68	1.7074	1.9	(1,4,-5,0)

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Energy Properties

Formation Energy/atom

-0.72617

eV/atom

Energy/atom

-41.49125

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.4913

eV/atom

Volume/atom

29.38

Å³

c/a Ratio

0.7360

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0315

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002190

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.438

Element Family

Lanthanide

Solute Fraction

0.563

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0434

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6744

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

0.000%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5797

smaller = more stable mixing

VEC

7.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9497

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.458

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.438

Related Tasks

Related computation task IDs (1)

aaahfjfq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292942

Reference Citation

The crystal structure and related material properties of Tb7(DyPb2)3 were obtained from the Materials Project database (MP-ID: mp-3292942, 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_Tb7(DyPb2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03449608
_cell_length_b   9.03449737
_cell_length_c   6.64973374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb7(DyPb2)3
_chemical_formula_sum   'Tb7 Dy3 Pb6'
_cell_volume   470.04868146
_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  0.23809116  0.23847075  0.74991158  1.0
  Tb  Tb1  1  0.23809116  0.99961941  0.25008842  1.0
  Tb  Tb2  1  0.33333300  0.66666700  0.00000000  1.0
  Tb  Tb3  1  0.00038059  0.76190884  0.74991158  1.0
  Tb  Tb4  1  0.76152925  0.76190884  0.25008842  1.0
  Tb  Tb5  1  0.00038059  0.23847075  0.25008842  1.0
  Tb  Tb6  1  0.76152925  0.99961941  0.74991158  1.0
  Dy  Dy7  1  0.66666700  0.33333300  0.00000000  1.0
  Dy  Dy8  1  0.33333300  0.66666700  0.50000000  1.0
  Dy  Dy9  1  0.66666700  0.33333300  0.50000000  1.0
  Pb  Pb10  1  0.99949650  0.39350626  0.74958644  1.0
  Pb  Pb11  1  0.39400876  0.39350626  0.25041356  1.0
  Pb  Pb12  1  0.60649374  0.00050350  0.25041356  1.0
  Pb  Pb13  1  0.60649374  0.60599124  0.74958644  1.0
  Pb  Pb14  1  0.39400876  0.00050350  0.74958644  1.0
  Pb  Pb15  1  0.99949650  0.60599124  0.25041356  1.0

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