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TmMn6(GaSn2)2

High-Entropy Materials HEA

MP-ID: mp-6072 · Space group: P6/mmm (#191)

Basic Information

Formula
TmMn6(GaSn2)2
MP-ID
mp-6072
Elements
4
Sites
13
Density
8.4609
g/cm³
Volume
218.41
ų
Cell a
5.3596
Å
Cell b
5.3596
Å
Cell c
8.7795
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.12 4.6416 8.0 (1,0,-1,0)
20.23 4.3898 1.9 (0,0,0,2)
21.66 4.1034 9.2 (1,0,-1,1)
27.98 3.1893 1.1 (1,0,-1,2)
30.55 2.9265 4.4 (0,0,0,3)
33.44 2.6798 100.0 (2,-1,-1,0)
35.01 2.5631 1.3 (2,-1,-1,1)
36.29 2.4755 81.2 (1,0,-1,3)
38.80 2.3208 42.7 (2,0,-2,0)
39.39 2.2873 79.1 (2,-1,-1,2)
40.19 2.2437 4.1 (2,0,-2,1)
41.13 2.1949 22.9 (0,0,0,4)
44.14 2.0517 44.9 (2,0,-2,2)
45.73 1.9842 10.4 (1,0,-1,4)
45.92 1.9764 6.9 (2,-1,-1,3)
45.92 1.9764 13.7 (1,1,-2,3)
50.17 1.8184 19.2 (2,0,-2,3)
52.14 1.7543 1.5 (3,-1,-2,0)
53.25 1.7203 1.2 (2,1,-3,1)
54.00 1.6980 13.0 (2,-1,-1,4)
57.82 1.5947 2.1 (2,0,-2,4)
59.77 1.5472 19.7 (3,0,-3,0)
61.64 1.5047 36.0 (3,-1,-2,3)
63.59 1.4633 3.3 (0,0,0,6)
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Energy Properties

Formation Energy/atom
-0.17030
eV/atom
Energy/atom
-6.44331
eV/atom
Energy above Hull
0.0018
eV/atom
Uncorrected Energy
-6.4433
eV/atom
Volume/atom
16.80
ų
c/a Ratio
1.6381

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
13.7653
μB
Mag. Ordering
FiM
Mag. Sites
7
Magnetization/Volume
0.063030
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.462
Element Family
3d-TM
Solute Fraction
0.538
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2048
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0167
J/mol·K
Ω Parameter
3.2578
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.472%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2204
smaller = more stable mixing
VEC
5.923
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
3.207
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8691
SS Former
0
Phase Tendency
IM

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-6072
Reference Citation

The crystal structure and related material properties of TmMn6(GaSn2)2 were obtained from the Materials Project database (MP-ID: mp-6072, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_TmMn6(GaSn2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35961000
_cell_length_b   5.35960964
_cell_length_c   8.77953200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000221
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmMn6(GaSn2)2
_chemical_formula_sum   'Tm1 Mn6 Ga2 Sn4'
_cell_volume   218.40789670
_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  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.00000000  0.50000000  0.76450600  1.0
  Mn  Mn2  1  0.50000000  0.00000000  0.23549400  1.0
  Mn  Mn3  1  0.50000000  0.50000000  0.23549400  1.0
  Mn  Mn4  1  0.50000000  0.50000000  0.76450600  1.0
  Mn  Mn5  1  0.50000000  0.00000000  0.76450600  1.0
  Mn  Mn6  1  0.00000000  0.50000000  0.23549400  1.0
  Ga  Ga7  1  0.33333300  0.66666700  0.00000000  1.0
  Ga  Ga8  1  0.66666700  0.33333300  0.00000000  1.0
  Sn  Sn9  1  0.00000000  0.00000000  0.66850300  1.0
  Sn  Sn10  1  0.00000000  0.00000000  0.33149700  1.0
  Sn  Sn11  1  0.66666700  0.33333300  0.50000000  1.0
  Sn  Sn12  1  0.33333300  0.66666700  0.50000000  1.0
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