Tm5CoSb2
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3294514 · Space group: Pnma (#62)
Basic Information
Formula
Tm5CoSb2
MP-ID
mp-3294514
Elements
3
Sites
32
Density
9.4698
g/cm³
Volume
804.60
ų
Cell a
7.8057
Å
Cell b
8.5819
Å
Cell c
12.0112
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 14.75 | 6.0056 | 1.9 | (0,0,2) |
| 22.78 | 3.9028 | 1.2 | (2,0,0) |
| 24.81 | 3.5885 | 1.6 | (1,2,1) |
| 25.51 | 3.4913 | 2.9 | (0,2,2) |
| 26.16 | 3.4068 | 8.2 | (2,1,1) |
| 28.00 | 3.1871 | 31.8 | (1,2,2) |
| 29.21 | 3.0577 | 3.1 | (2,1,2) |
| 29.75 | 3.0028 | 3.6 | (0,0,4) |
| 30.97 | 2.8872 | 2.9 | (2,2,0) |
| 31.88 | 2.8072 | 100.0 | (2,2,1) |
| 31.93 | 2.8026 | 66.6 | (1,0,4) |
| 32.03 | 2.7947 | 27.0 | (2,0,3) |
| 32.67 | 2.7409 | 90.1 | (1,2,3) |
| 33.36 | 2.6859 | 13.7 | (1,3,0) |
| 33.64 | 2.6641 | 4.6 | (1,1,4) |
| 34.21 | 2.6212 | 2.3 | (1,3,1) |
| 34.47 | 2.6021 | 49.8 | (2,2,2) |
| 34.74 | 2.5826 | 3.3 | (0,3,2) |
| 35.30 | 2.5429 | 31.1 | (3,0,1) |
| 36.07 | 2.4900 | 1.3 | (3,1,0) |
| 36.52 | 2.4602 | 19.3 | (0,2,4) |
| 36.65 | 2.4519 | 6.6 | (1,3,2) |
| 36.87 | 2.4381 | 1.3 | (3,1,1) |
| 37.68 | 2.3875 | 10.5 | (3,0,2) |
Energy Properties
Formation Energy/atom
-0.76449
eV/atom
Energy/atom
-30.79600
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.7960
eV/atom
Volume/atom
25.14
ų
c/a Ratio
1.5388
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.7410
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.002160
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tm · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9003
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.4847
J/mol·K
Ω Parameter
6.6246
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.576%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3632
smaller = more stable mixing
VEC
10.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.789
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8194
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.600
Family
Tm-rich Multi-Component
Matrix Element
Tm · 0.625
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294514
Reference Citation
The crystal structure and related material properties of Tm5CoSb2 were obtained from the Materials Project database (MP-ID: mp-3294514, 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_Tm5CoSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80568163
_cell_length_b 8.58188162
_cell_length_c 12.01119174
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm5CoSb2
_chemical_formula_sum 'Tm20 Co4 Sb8'
_cell_volume 804.59893447
_cell_formula_units_Z 4
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 0.15687079 0.75000000 0.20306219 1.0
Tm Tm1 1 0.65687079 0.25000000 0.29693781 1.0
Tm Tm2 1 0.84312921 0.25000000 0.79693781 1.0
Tm Tm3 1 0.34312921 0.75000000 0.70306219 1.0
Tm Tm4 1 0.44802482 0.75000000 0.99796069 1.0
Tm Tm5 1 0.94802482 0.25000000 0.50203931 1.0
Tm Tm6 1 0.55197518 0.25000000 0.00203931 1.0
Tm Tm7 1 0.05197518 0.75000000 0.49796069 1.0
Tm Tm8 1 0.62302373 0.75000000 0.30915579 1.0
Tm Tm9 1 0.12302373 0.25000000 0.19084421 1.0
Tm Tm10 1 0.37697627 0.25000000 0.69084421 1.0
Tm Tm11 1 0.87697627 0.75000000 0.80915579 1.0
Tm Tm12 1 0.82490906 0.96284129 0.06513320 1.0
Tm Tm13 1 0.32490906 0.03715871 0.43486680 1.0
Tm Tm14 1 0.17509094 0.46284129 0.93486680 1.0
Tm Tm15 1 0.67509094 0.53715871 0.56513320 1.0
Tm Tm16 1 0.17509094 0.03715871 0.93486680 1.0
Tm Tm17 1 0.67509094 0.96284129 0.56513320 1.0
Tm Tm18 1 0.82490906 0.53715871 0.06513320 1.0
Tm Tm19 1 0.32490906 0.46284129 0.43486680 1.0
Co Co20 1 0.43284106 0.75000000 0.49067694 1.0
Co Co21 1 0.93284106 0.25000000 0.00932306 1.0
Co Co22 1 0.56715894 0.25000000 0.50932306 1.0
Co Co23 1 0.06715894 0.75000000 0.99067694 1.0
Sb Sb24 1 0.93324763 0.99206535 0.32762337 1.0
Sb Sb25 1 0.43324763 0.00793465 0.17237663 1.0
Sb Sb26 1 0.06675237 0.49206535 0.67237663 1.0
Sb Sb27 1 0.56675237 0.50793465 0.82762337 1.0
Sb Sb28 1 0.06675237 0.00793465 0.67237663 1.0
Sb Sb29 1 0.56675237 0.99206535 0.82762337 1.0
Sb Sb30 1 0.93324763 0.50793465 0.32762337 1.0
Sb Sb31 1 0.43324763 0.49206535 0.17237663 1.0
