Tm2In8Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-646456 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

Tm2In8Co

MP-ID

mp-646456

Elements

Sites

Density

8.5139

g/cm³

Volume

256.54

Å³

Cell a

4.5878

Cell b

4.5878

Cell c

12.1887

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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
14.53	6.0944	2.0	(0,0,2)
19.35	4.5878	5.1	(1,0,0)
28.47	3.1349	8.7	(1,1,1)
29.36	3.0416	3.5	(1,0,3)
31.23	2.8636	47.7	(1,1,2)
35.41	2.5351	100.0	(1,1,3)
36.87	2.4378	23.2	(0,0,5)
39.28	2.2939	56.2	(2,0,0)
40.62	2.2210	8.5	(1,1,4)
44.14	2.0517	1.2	(2,1,0)
44.60	2.0315	2.7	(0,0,6)
49.79	1.8314	1.7	(2,1,3)
52.56	1.7413	1.3	(0,0,7)
53.20	1.7217	1.2	(1,1,6)
54.96	1.6706	28.8	(2,0,5)
56.76	1.6220	18.7	(2,2,0)
60.33	1.5342	2.9	(1,1,7)
60.92	1.5208	4.2	(2,0,6)
64.71	1.4406	1.7	(3,1,1)
66.22	1.4113	10.8	(3,1,2)
67.54	1.3869	2.3	(2,0,7)
67.98	1.3791	16.4	(1,1,8)
68.70	1.3663	27.7	(3,1,3)
69.62	1.3504	14.0	(2,2,5)

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Energy Properties

Formation Energy/atom

-0.24774

eV/atom

Energy/atom

-3.71790

eV/atom

Energy above Hull

0.0080

eV/atom

Uncorrected Energy

-3.7179

eV/atom

Volume/atom

23.32

Å³

c/a Ratio

2.6568

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0021

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

In · 0.727

Element Family

PostTransition-Noble

Solute Fraction

0.273

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7595

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3149

J/mol·K

Ω Parameter

1.1090

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.836%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2106

smaller = more stable mixing

VEC

5.364

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

4.577

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6914

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.605

Family

In-rich Multi-Component

Matrix Element

In · 0.727

Related Tasks

Related computation task IDs (5)

aaadmzfa aaadstta aaaefnsf aaaermip aaafsevu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-646456

Reference Citation

The crystal structure and related material properties of Tm2In8Co were obtained from the Materials Project database (MP-ID: mp-646456, 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_Tm2In8Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58775800
_cell_length_b   4.58775800
_cell_length_c   12.18873400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2In8Co
_chemical_formula_sum   'Tm2 In8 Co1'
_cell_volume   256.54266489
_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  0.50000000  0.50000000  0.30749800  1.0
  Tm  Tm1  1  0.50000000  0.50000000  0.69250200  1.0
  In  In2  1  0.50000000  0.00000000  0.11984800  1.0
  In  In3  1  0.00000000  0.50000000  0.11984800  1.0
  In  In4  1  0.00000000  0.00000000  0.69612500  1.0
  In  In5  1  0.00000000  0.50000000  0.88015200  1.0
  In  In6  1  0.00000000  0.00000000  0.30387500  1.0
  In  In7  1  0.50000000  0.00000000  0.50000000  1.0
  In  In8  1  0.50000000  0.00000000  0.88015200  1.0
  In  In9  1  0.00000000  0.50000000  0.50000000  1.0
  Co  Co10  1  0.50000000  0.50000000  0.00000000  1.0

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