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TbTmUCo2

High-Entropy Materials HEA

MP-ID: mp-3247654 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula
TbTmUCo2
MP-ID
mp-3247654
Elements
4
Sites
5
Density
11.4345
g/cm³
Volume
99.30
ų
Cell a
5.8776
Å
Cell b
5.8776
Å
Cell c
5.8776
Å
α Angle
145.42
°
β Angle
118.77
°
γ Angle
72.27
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
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)
2θd (Å)Ihkl
17.51 5.0641 10.7 (1,0,0)
18.69 4.7470 5.1 (1,1,-1)
27.20 3.2790 17.6 (0,1,0)
29.60 3.0176 2.2 (1,-1,0)
29.85 2.9934 29.3 (1,-1,1)
31.99 2.7978 63.7 (2,1,-1)
35.24 2.5466 100.0 (1,1,0)
35.45 2.5320 4.2 (2,0,0)
37.91 2.3735 14.3 (2,2,-2)
38.38 2.3456 2.5 (1,2,-1)
38.38 2.3456 2.5 (2,1,-2)
40.82 2.2107 43.0 (2,-1,0)
40.82 2.2107 14.3 (0,1,-2)
46.50 1.9529 2.6 (2,-1,1)
48.82 1.8656 4.2 (2,2,-1)
48.82 1.8656 1.4 (2,2,-3)
48.98 1.8598 2.5 (3,1,-1)
52.37 1.7470 15.2 (1,-1,-1)
52.83 1.7329 1.3 (2,-2,1)
54.35 1.6880 9.2 (3,0,0)
54.35 1.6880 9.2 (0,3,-3)
55.04 1.6684 10.8 (2,3,-2)
55.65 1.6515 1.2 (1,0,-2)
56.54 1.6278 20.1 (3,-1,0)
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Energy Properties

Formation Energy/atom
-0.15453
eV/atom
Energy/atom
-34.70612
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.7061
eV/atom
Volume/atom
19.86
ų
c/a Ratio
1.0000

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0006
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
Co · 0.400
Element Family
3d-TM
Solute Fraction
0.600
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3322
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0757
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.803%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3242
smaller = more stable mixing
VEC
10.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahcufu

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3247654
Reference Citation

The crystal structure and related material properties of TbTmUCo2 were obtained from the Materials Project database (MP-ID: mp-3247654, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_TbTmUCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87762361
_cell_length_b   5.87762319
_cell_length_c   5.87762300
_cell_angle_alpha   145.41810275
_cell_angle_beta   118.76651523
_cell_angle_gamma   72.26847341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbTmUCo2
_chemical_formula_sum   'Tb1 Tm1 U1 Co2'
_cell_volume   99.29636763
_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  0.30383629  0.80383629  0.50000000  1.0
  Tm  Tm1  1  0.69382265  0.19382365  0.50000000  1.0
  U  U2  1  0.99963180  0.99963180  1.00000000  1.0
  Co  Co3  1  0.73045003  0.50135413  0.22909590  1.0
  Co  Co4  1  0.27225722  0.50135413  0.77090410  1.0
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