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Tm12Co5Sb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3291690 · Space group: Immm (#71)

Basic Information

Formula
Tm12Co5Sb
MP-ID
mp-3291690
Elements
3
Sites
18
Density
9.7973
g/cm³
Volume
414.17
ų
Cell a
8.1374
Å
Cell b
8.1374
Å
Cell c
8.1374
Å
α Angle
110.38
°
β Angle
111.14
°
γ Angle
106.92
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
13.27 6.6724 1.9 (0,1,-1)
13.54 6.5378 5.1 (1,-1,0)
23.33 3.8123 1.8 (2,-1,-1)
26.59 3.3530 4.5 (2,0,-2)
26.72 3.3362 21.2 (0,2,-2)
27.28 3.2689 8.2 (2,-2,0)
29.28 3.0507 19.0 (2,1,-2)
29.31 3.0475 28.3 (1,2,-2)
30.30 2.9498 24.3 (2,-1,-2)
30.30 2.9498 24.3 (1,-2,-1)
30.46 2.9351 15.2 (2,-2,-1)
30.57 2.9243 5.8 (1,-2,2)
30.70 2.9127 50.7 (2,-2,1)
33.06 2.7098 100.0 (3,-1,-1)
33.06 2.7098 100.0 (1,-3,1)
35.22 2.5481 4.4 (3,0,-2)
35.30 2.5426 90.5 (3,0,-1)
35.77 2.5103 84.3 (3,-1,-2)
35.98 2.4963 10.4 (3,-1,0)
36.17 2.4833 32.4 (3,-2,-1)
36.17 2.4833 10.8 (0,1,2)
36.30 2.4747 42.9 (3,-2,0)
37.12 2.4223 28.5 (2,2,-2)
38.77 2.3226 13.7 (2,-2,-2)
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Energy Properties

Formation Energy/atom
-0.31106
eV/atom
Energy/atom
-28.82940
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.8294
eV/atom
Volume/atom
23.01
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.5998
μB
Mag. Ordering
FiM
Mag. Sites
17
Magnetization/Volume
0.003860
μB/ų

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
0.7867
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.5406
J/mol·K
Ω Parameter
12.9825
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.059%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3125
smaller = more stable mixing
VEC
11.444
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.883
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7161
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.653
Family
Tm-rich Multi-Component
Matrix Element
Tm · 0.667

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291690
Reference Citation

The crystal structure and related material properties of Tm12Co5Sb were obtained from the Materials Project database (MP-ID: mp-3291690, 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_Tm12Co5Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13742398
_cell_length_b   8.13742348
_cell_length_c   8.13742363
_cell_angle_alpha   110.38162093
_cell_angle_beta   111.13843992
_cell_angle_gamma   106.92418777
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm12Co5Sb
_chemical_formula_sum   'Tm12 Co5 Sb1'
_cell_volume   414.16980243
_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  0.28503780  0.18227491  0.46731371  1.0
  Tm  Tm1  1  0.71496220  0.81772509  0.53268629  1.0
  Tm  Tm2  1  0.28503780  0.81772509  0.10276189  1.0
  Tm  Tm3  1  0.71496220  0.18227491  0.89723811  1.0
  Tm  Tm4  1  0.61789137  0.31144022  0.30645216  1.0
  Tm  Tm5  1  0.38210863  0.68855978  0.69354784  1.0
  Tm  Tm6  1  0.00498806  0.31144022  0.69354784  1.0
  Tm  Tm7  1  0.99501194  0.68855978  0.30645216  1.0
  Tm  Tm8  1  0.21298167  0.41100986  0.19802820  1.0
  Tm  Tm9  1  0.78701833  0.58899014  0.80197180  1.0
  Tm  Tm10  1  0.21298167  0.01495347  0.80197180  1.0
  Tm  Tm11  1  0.78701833  0.98504653  0.19802820  1.0
  Co  Co12  1  1.00000000  0.37899649  0.37899649  1.0
  Co  Co13  1  0.00000000  0.62100351  0.62100351  1.0
  Co  Co14  1  0.38889586  0.88889586  0.50000000  1.0
  Co  Co15  1  0.61110414  0.11110414  0.50000000  1.0
  Co  Co16  1  0.00000000  0.00000000  0.00000000  1.0
  Sb  Sb17  1  0.50000000  0.50000000  0.00000000  1.0
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