Tm12Co4SnRh

High-Entropy Materials HEA

MP-ID: mp-3296032 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Tm12Co4SnRh

MP-ID

mp-3296032

Elements

Sites

Density

9.9572

g/cm³

Volume

414.34

Å³

Cell a

8.1384

Cell b

8.1384

Cell c

8.1384

α Angle

111.06

β Angle

110.43

γ Angle

106.95

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
13.26	6.6758	3.6	(0,1,0)
13.54	6.5398	1.5	(1,-1,0)
26.59	3.3518	3.5	(2,0,0)
26.71	3.3379	15.0	(0,2,0)
27.27	3.2699	5.6	(2,-2,0)
29.28	3.0501	19.8	(2,1,-1)
29.31	3.0474	24.8	(1,2,-1)
30.32	2.9484	41.0	(2,-1,1)
30.47	2.9340	5.6	(2,-2,1)
30.47	2.9340	5.6	(1,-1,2)
30.54	2.9272	9.3	(1,-2,-1)
30.67	2.9154	52.4	(2,-2,-1)
33.05	2.7102	100.0	(3,-1,-1)
33.05	2.7102	100.0	(1,1,1)
35.23	2.5476	7.1	(3,0,-1)
35.29	2.5431	78.7	(3,0,-2)
35.78	2.5095	21.9	(3,-1,0)
35.78	2.5095	65.6	(1,-3,2)
35.95	2.4979	6.6	(3,-1,-2)
36.17	2.4832	42.0	(3,-2,0)
36.28	2.4761	40.7	(3,-2,-1)
37.12	2.4219	27.1	(2,2,-2)
38.79	2.3214	15.2	(2,-2,2)
39.11	2.3031	38.1	(2,-2,-2)

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Energy Properties

Formation Energy/atom

-0.38266

eV/atom

Energy/atom

-29.45332

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.4533

eV/atom

Volume/atom

23.02

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.8505

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002050

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9257

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6963

J/mol·K

Ω Parameter

135.9140

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.442%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3452

smaller = more stable mixing

VEC

11.389

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.100

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6678

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnum

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296032

Reference Citation

The crystal structure and related material properties of Tm12Co4SnRh were obtained from the Materials Project database (MP-ID: mp-3296032, 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

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Raw CIF Data

# generated using pymatgen
data_Tm12Co4SnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13844357
_cell_length_b   8.13844347
_cell_length_c   8.13844312
_cell_angle_alpha   111.06099101
_cell_angle_beta   110.43352110
_cell_angle_gamma   106.94886628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm12Co4SnRh
_chemical_formula_sum   'Tm12 Co4 Sn1 Rh1'
_cell_volume   414.34324189
_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  0.40894951  0.21217730  0.19677221  1.0
  Tm  Tm1  1  0.59105049  0.78782270  0.80322779  1.0
  Tm  Tm2  1  0.01540608  0.21217730  0.80322779  1.0
  Tm  Tm3  1  0.98459392  0.78782270  0.19677221  1.0
  Tm  Tm4  1  0.18591220  0.28999118  0.47590338  1.0
  Tm  Tm5  1  0.81408780  0.71000882  0.52409662  1.0
  Tm  Tm6  1  0.18591220  0.71000882  0.89592102  1.0
  Tm  Tm7  1  0.81408780  0.28999118  0.10407898  1.0
  Tm  Tm8  1  0.31283292  0.61712560  0.30429068  1.0
  Tm  Tm9  1  0.68716708  0.38287440  0.69570932  1.0
  Tm  Tm10  1  0.31283292  0.00854224  0.69570932  1.0
  Tm  Tm11  1  0.68716708  0.99145776  0.30429068  1.0
  Co  Co12  1  0.38016055  0.00000000  0.38016055  1.0
  Co  Co13  1  0.61983945  1.00000000  0.61983945  1.0
  Co  Co14  1  0.11128642  0.61128642  0.50000000  1.0
  Co  Co15  1  0.88871358  0.38871358  0.50000000  1.0
  Sn  Sn16  1  0.50000000  0.50000000  0.00000000  1.0
  Rh  Rh17  1  0.00000000  0.00000000  0.00000000  1.0

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