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Tb6YbCo6Sn23

High-Entropy Materials HEA

MP-ID: mp-3297210 · Space group: P-3m1 (#164)

Basic Information

Formula
Tb6YbCo6Sn23
MP-ID
mp-3297210
Elements
4
Sites
36
Density
8.7339
g/cm³
Volume
800.53
ų
Cell a
9.6857
Å
Cell b
9.6857
Å
Cell c
9.8534
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal 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
13.86 6.3871 1.3 (1,0,-1,1)
21.18 4.1940 5.0 (2,0,-2,0)
27.15 3.2845 4.3 (0,0,0,3)
27.94 3.1936 2.2 (2,0,-2,2)
29.20 3.0584 1.4 (1,0,-1,3)
29.60 3.0180 7.8 (3,-1,-2,1)
32.01 2.7960 1.1 (3,0,-3,0)
32.95 2.7183 16.8 (2,-1,-1,3)
33.31 2.6898 100.0 (3,0,-3,1)
33.62 2.6661 63.9 (3,-1,-2,2)
34.69 2.5859 50.8 (2,0,-2,3)
36.47 2.4634 12.0 (0,0,0,4)
36.97 2.4317 45.8 (3,0,-3,2)
37.13 2.4214 26.9 (4,-2,-2,0)
38.07 2.3635 22.7 (1,0,-1,4)
38.70 2.3264 3.8 (4,-1,-3,0)
39.51 2.2811 7.8 (3,-1,-2,3)
39.81 2.2642 1.2 (4,-1,-3,1)
39.81 2.2642 2.3 (3,1,-4,1)
41.11 2.1956 3.1 (2,-1,-1,4)
41.56 2.1731 16.2 (4,-2,-2,2)
42.46 2.1291 2.3 (3,0,-3,3)
42.56 2.1241 6.3 (2,0,-2,4)
43.00 2.1037 1.7 (4,-1,-3,2)
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Energy Properties

Formation Energy/atom
-0.36545
eV/atom
Energy/atom
-24.60033
eV/atom
Energy above Hull
0.0036
eV/atom
Uncorrected Energy
-24.6003
eV/atom
Volume/atom
22.24
ų
c/a Ratio
1.0173

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0072
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.639
Element Family
PostTransition-Noble
Solute Fraction
0.361
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9830
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.1729
J/mol·K
Ω Parameter
1.7443
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.902%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3351
smaller = more stable mixing
VEC
5.944
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
4.307
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7091
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297210
Reference Citation

The crystal structure and related material properties of Tb6YbCo6Sn23 were obtained from the Materials Project database (MP-ID: mp-3297210, 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_Tb6YbCo6Sn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68570588
_cell_length_b   9.68570514
_cell_length_c   9.85340462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb6YbCo6Sn23
_chemical_formula_sum   'Tb6 Yb1 Co6 Sn23'
_cell_volume   800.53340400
_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
  Tb  Tb0  1  0.47904904  0.52095096  0.30554940  1.0
  Tb  Tb1  1  0.52095096  0.47904904  0.69445060  1.0
  Tb  Tb2  1  0.47904904  0.95809907  0.30554940  1.0
  Tb  Tb3  1  0.52095096  0.04190093  0.69445060  1.0
  Tb  Tb4  1  0.04190093  0.52095096  0.30554940  1.0
  Tb  Tb5  1  0.95809907  0.47904904  0.69445060  1.0
  Yb  Yb6  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co7  1  0.83138568  0.16861432  0.19867542  1.0
  Co  Co8  1  0.16861432  0.83138568  0.80132458  1.0
  Co  Co9  1  0.83138568  0.66277036  0.19867542  1.0
  Co  Co10  1  0.16861432  0.33722964  0.80132458  1.0
  Co  Co11  1  0.33722964  0.16861432  0.19867542  1.0
  Co  Co12  1  0.66277036  0.83138568  0.80132458  1.0
  Sn  Sn13  1  0.34598263  0.00000000  0.00000000  1.0
  Sn  Sn14  1  0.65401737  0.00000000  0.00000000  1.0
  Sn  Sn15  1  0.00000000  0.34598263  0.00000000  1.0
  Sn  Sn16  1  1.00000000  0.65401737  0.00000000  1.0
  Sn  Sn17  1  0.65401737  0.65401737  0.00000000  1.0
  Sn  Sn18  1  0.34598263  0.34598263  0.00000000  1.0
  Sn  Sn19  1  0.33333300  0.66666700  0.81919539  1.0
  Sn  Sn20  1  0.66666700  0.33333300  0.18080461  1.0
  Sn  Sn21  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn22  1  0.78132417  0.21867583  0.45310795  1.0
  Sn  Sn23  1  0.21867583  0.78132417  0.54689205  1.0
  Sn  Sn24  1  0.78132417  0.56264833  0.45310795  1.0
  Sn  Sn25  1  0.21867583  0.43735167  0.54689205  1.0
  Sn  Sn26  1  0.43735167  0.21867583  0.45310795  1.0
  Sn  Sn27  1  0.56264833  0.78132417  0.54689205  1.0
  Sn  Sn28  1  0.33333300  0.66666700  0.11316659  1.0
  Sn  Sn29  1  0.66666700  0.33333300  0.88683341  1.0
  Sn  Sn30  1  0.11550956  0.88449044  0.27366998  1.0
  Sn  Sn31  1  0.88449044  0.11550956  0.72633002  1.0
  Sn  Sn32  1  0.11550956  0.23102113  0.27366998  1.0
  Sn  Sn33  1  0.88449044  0.76897887  0.72633002  1.0
  Sn  Sn34  1  0.76897887  0.88449044  0.27366998  1.0
  Sn  Sn35  1  0.23102113  0.11550956  0.72633002  1.0
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