Tb10CoHg3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292370 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Tb10CoHg3

MP-ID

mp-3292370

Elements

Sites

Density

9.7682

g/cm³

Volume

764.96

Å³

Cell a

9.6005

Cell b

9.6005

Cell c

9.5835

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

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
10.64	8.3143	8.3	(1,0,-1,0)
18.52	4.7918	5.4	(0,0,0,2)
23.32	3.8138	5.1	(2,0,-2,1)
26.28	3.3913	2.2	(2,-1,-1,2)
28.40	3.1425	12.4	(3,-1,-2,0)
28.42	3.1401	6.0	(2,0,-2,2)
29.97	2.9820	34.7	(1,0,-1,3)
32.30	2.7714	20.8	(3,0,-3,0)
33.66	2.6623	32.1	(0,3,-3,1)
33.66	2.6623	64.3	(3,0,-3,1)
34.12	2.6278	100.0	(3,-1,-2,2)
35.44	2.5330	50.4	(2,0,-2,3)
37.47	2.4001	8.9	(2,2,-4,0)
37.47	2.4001	4.5	(4,-2,-2,0)
37.49	2.3991	4.7	(3,0,-3,2)
37.54	2.3959	12.0	(0,0,0,4)
39.13	2.3022	3.4	(1,0,-1,4)
40.22	2.2420	1.8	(4,-1,-3,1)
43.60	2.0758	3.6	(2,0,-2,4)
47.69	1.9069	2.0	(0,4,-4,2)
47.69	1.9069	3.9	(4,0,-4,2)
47.73	1.9053	1.1	(1,2,-3,4)
47.73	1.9053	2.1	(3,-1,-2,4)
48.70	1.8697	8.7	(4,-1,-3,3)

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Energy Properties

Formation Energy/atom

-0.34228

eV/atom

Energy/atom

-34.17100

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.1710

eV/atom

Volume/atom

27.32

Å³

c/a Ratio

0.9982

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7390

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000970

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

217.3213

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.042%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3940

smaller = more stable mixing

VEC

9.643

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.039

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.609

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.714

Related Tasks

Related computation task IDs (1)

aaahfijq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292370

Reference Citation

The crystal structure and related material properties of Tb10CoHg3 were obtained from the Materials Project database (MP-ID: mp-3292370, 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_Tb10CoHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.60047215
_cell_length_b   9.60047320
_cell_length_c   9.58351369
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb10CoHg3
_chemical_formula_sum   'Tb20 Co2 Hg6'
_cell_volume   764.96338276
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.50000000  1.0
  Tb  Tb1  1  0.00000000  0.00000000  0.00000000  1.0
  Tb  Tb2  1  0.54300634  0.45699366  0.25000000  1.0
  Tb  Tb3  1  0.54300634  0.08601368  0.25000000  1.0
  Tb  Tb4  1  0.91398632  0.45699366  0.25000000  1.0
  Tb  Tb5  1  0.45699366  0.54300634  0.75000000  1.0
  Tb  Tb6  1  0.45699366  0.91398632  0.75000000  1.0
  Tb  Tb7  1  0.08601368  0.54300634  0.75000000  1.0
  Tb  Tb8  1  0.21085975  0.78914025  0.43382563  1.0
  Tb  Tb9  1  0.21085975  0.42172250  0.43382563  1.0
  Tb  Tb10  1  0.57827750  0.78914025  0.43382563  1.0
  Tb  Tb11  1  0.78914025  0.21085975  0.56617437  1.0
  Tb  Tb12  1  0.78914025  0.57827750  0.56617437  1.0
  Tb  Tb13  1  0.42172250  0.21085975  0.56617437  1.0
  Tb  Tb14  1  0.78914025  0.21085975  0.93382563  1.0
  Tb  Tb15  1  0.78914025  0.57827750  0.93382563  1.0
  Tb  Tb16  1  0.42172250  0.21085975  0.93382563  1.0
  Tb  Tb17  1  0.21085975  0.78914025  0.06617437  1.0
  Tb  Tb18  1  0.21085975  0.42172250  0.06617437  1.0
  Tb  Tb19  1  0.57827750  0.78914025  0.06617437  1.0
  Co  Co20  1  0.33333300  0.66666700  0.25000000  1.0
  Co  Co21  1  0.66666700  0.33333300  0.75000000  1.0
  Hg  Hg22  1  0.88036430  0.11963570  0.25000000  1.0
  Hg  Hg23  1  0.88036430  0.76072860  0.25000000  1.0
  Hg  Hg24  1  0.23927140  0.11963570  0.25000000  1.0
  Hg  Hg25  1  0.11963570  0.88036430  0.75000000  1.0
  Hg  Hg26  1  0.11963570  0.23927140  0.75000000  1.0
  Hg  Hg27  1  0.76072860  0.88036430  0.75000000  1.0

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