Tm10In7Hg

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296830 · Space group: P-31m (#162)

Materials Project API

Basic Information

Formula

Tm10In7Hg

MP-ID

mp-3296830

Elements

Sites

Density

9.4611

g/cm³

Volume

472.77

Å³

Cell a

9.0900

Cell b

9.0900

Cell c

6.6069

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-31m

Point Group

-3m

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
17.52	5.0607	1.1	(1,0,-1,1)
19.53	4.5450	1.7	(2,-1,-1,0)
23.76	3.7445	4.6	(2,-1,-1,1)
26.99	3.3035	4.9	(0,0,0,2)
30.03	2.9754	1.6	(3,-1,-2,0)
33.02	2.7130	32.8	(3,-1,-2,1)
33.54	2.6722	100.0	(2,-1,-1,2)
34.17	2.6240	26.4	(0,3,-3,0)
34.17	2.6240	52.9	(3,0,-3,0)
43.66	2.0731	4.7	(3,1,-4,1)
43.66	2.0731	4.7	(4,-1,-3,1)
44.07	2.0547	1.3	(3,0,-3,2)
46.12	1.9680	1.2	(4,0,-4,0)
48.63	1.8723	29.0	(4,-2,-2,2)
51.64	1.7702	9.3	(3,-1,-2,3)
52.53	1.7421	2.6	(3,2,-5,1)
52.53	1.7421	5.2	(5,-2,-3,1)
53.33	1.7178	3.3	(5,-1,-4,0)
54.25	1.6907	1.7	(4,0,-4,2)
55.65	1.6517	9.1	(0,0,0,4)
59.63	1.5505	3.6	(4,-1,-3,3)
60.77	1.5241	10.8	(4,1,-5,2)
60.77	1.5241	10.8	(5,-1,-4,2)
61.18	1.5150	7.3	(6,-3,-3,0)

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Energy Properties

Formation Energy/atom

-0.54194

eV/atom

Energy/atom

-31.57685

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.5769

eV/atom

Volume/atom

26.27

Å³

c/a Ratio

0.7268

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.2294

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8544

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1036

J/mol·K

Ω Parameter

10.4467

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.573%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2812

smaller = more stable mixing

VEC

9.056

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.809

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7777

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.580

Family

Tm-rich Multi-Component

Matrix Element

Tm · 0.556

Related Tasks

Related computation task IDs (1)

aaahfoze

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296830

Reference Citation

The crystal structure and related material properties of Tm10In7Hg were obtained from the Materials Project database (MP-ID: mp-3296830, 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_Tm10In7Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08995457
_cell_length_b   9.08995495
_cell_length_c   6.60690448
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999507
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm10In7Hg
_chemical_formula_sum   'Tm10 In7 Hg1'
_cell_volume   472.77241101
_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
  Tm  Tm0  1  0.33333300  0.66666700  0.50000000  1.0
  Tm  Tm1  1  0.66666700  0.33333300  0.50000000  1.0
  Tm  Tm2  1  0.66666700  0.33333300  0.00000000  1.0
  Tm  Tm3  1  0.33333300  0.66666700  0.00000000  1.0
  Tm  Tm4  1  0.28460759  0.00000000  0.74598073  1.0
  Tm  Tm5  1  0.71539241  1.00000000  0.25401927  1.0
  Tm  Tm6  1  0.00000000  0.28460759  0.74598073  1.0
  Tm  Tm7  1  1.00000000  0.71539241  0.25401927  1.0
  Tm  Tm8  1  0.71539241  0.71539241  0.74598073  1.0
  Tm  Tm9  1  0.28460759  0.28460759  0.25401927  1.0
  In  In10  1  0.00000000  0.00000000  0.00000000  1.0
  In  In11  1  0.62268865  0.00000000  0.75201218  1.0
  In  In12  1  0.37731135  1.00000000  0.24798782  1.0
  In  In13  1  0.00000000  0.62268865  0.75201218  1.0
  In  In14  1  1.00000000  0.37731135  0.24798782  1.0
  In  In15  1  0.37731135  0.37731135  0.75201218  1.0
  In  In16  1  0.62268865  0.62268865  0.24798782  1.0
  Hg  Hg17  1  0.00000000  0.00000000  0.50000000  1.0

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