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HEAS Data Platform · Materials Science Database

TbErUCo2

High-Entropy Materials HEA

MP-ID: mp-3249391 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula
TbErUCo2
MP-ID
mp-3249391
Elements
4
Sites
5
Density
11.3468
g/cm³
Volume
99.82
ų
Cell a
5.8870
Å
Cell b
5.8870
Å
Cell c
5.8870
Å
α Angle
145.43
°
β Angle
118.69
°
γ Angle
72.33
°
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
17.47 5.0756 22.2 (1,0,0)
18.67 4.7525 10.7 (1,1,-1)
27.16 3.2834 35.5 (0,1,0)
29.55 3.0228 4.3 (1,-1,0)
29.77 3.0015 58.7 (1,-1,1)
31.94 2.8020 64.2 (2,1,-1)
31.94 2.8020 64.2 (1,2,-2)
35.19 2.5506 50.0 (1,1,0)
35.19 2.5506 100.0 (2,0,-1)
35.19 2.5506 50.0 (1,1,-2)
35.37 2.5378 4.1 (2,0,0)
35.37 2.5378 4.1 (0,2,-2)
37.86 2.3763 28.7 (2,2,-2)
38.33 2.3485 5.0 (1,2,-1)
38.33 2.3485 5.0 (2,1,-2)
40.73 2.2154 87.1 (1,0,1)
40.73 2.2154 29.0 (0,1,-2)
46.37 1.9581 5.2 (2,-1,1)
48.74 1.8681 5.7 (2,2,-1)
48.74 1.8681 2.9 (3,1,-2)
48.74 1.8681 2.9 (2,2,-3)
48.89 1.8631 2.4 (3,1,-1)
48.89 1.8631 2.4 (1,3,-3)
52.30 1.7494 30.5 (1,-1,-1)
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Energy Properties

Formation Energy/atom
-0.14804
eV/atom
Energy/atom
-34.46051
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.4605
eV/atom
Volume/atom
19.96
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
0.0076
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000080
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
0.3258
smaller = more stable mixing
VEC
9.750
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)
aaahcwup

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3249391
Reference Citation

The crystal structure and related material properties of TbErUCo2 were obtained from the Materials Project database (MP-ID: mp-3249391, 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_TbErUCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88694997
_cell_length_b   5.88694923
_cell_length_c   5.88694841
_cell_angle_alpha   145.42570997
_cell_angle_beta   118.69050015
_cell_angle_gamma   72.33390686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbErUCo2
_chemical_formula_sum   'Tb1 Er1 U1 Co2'
_cell_volume   99.81863663
_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  0.30423080  0.80423080  0.50000000  1.0
  Er  Er1  1  0.69387053  0.19387153  0.50000000  1.0
  U  U2  1  0.99975520  0.99975520  1.00000000  1.0
  Co  Co3  1  0.73112531  0.50107174  0.23005357  1.0
  Co  Co4  1  0.27101717  0.50107174  0.76994643  1.0
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