TbIn5Co
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1078338 · Space group: P4/mmm (#123)
Basic Information
Formula
TbIn5Co
MP-ID
mp-1078338
Elements
3
Sites
7
Density
8.0057
g/cm³
Volume
164.27
ų
Cell a
4.4244
Å
Cell b
4.4244
Å
Cell c
8.3914
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
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 |
|---|---|---|---|
| 10.54 | 8.3914 | 2.5 | (0,0,1) |
| 20.07 | 4.4244 | 3.6 | (1,0,0) |
| 21.18 | 4.1957 | 2.4 | (0,0,2) |
| 22.72 | 3.9137 | 22.4 | (1,0,1) |
| 28.53 | 3.1286 | 2.5 | (1,1,0) |
| 29.34 | 3.0445 | 2.8 | (1,0,2) |
| 35.80 | 2.5081 | 100.0 | (1,1,2) |
| 38.06 | 2.3643 | 6.0 | (1,0,3) |
| 40.79 | 2.2122 | 35.0 | (2,0,0) |
| 43.12 | 2.0978 | 14.2 | (0,0,4) |
| 43.39 | 2.0852 | 1.3 | (1,1,3) |
| 46.40 | 1.9569 | 1.2 | (2,0,2) |
| 47.19 | 1.9259 | 6.5 | (2,1,1) |
| 51.03 | 1.7896 | 1.2 | (2,1,2) |
| 57.01 | 1.6154 | 3.7 | (2,1,3) |
| 58.85 | 1.5692 | 1.7 | (1,0,5) |
| 59.05 | 1.5643 | 11.4 | (2,2,0) |
| 60.85 | 1.5222 | 19.8 | (2,0,4) |
| 64.11 | 1.4526 | 1.3 | (3,0,1) |
| 71.02 | 1.3273 | 25.6 | (3,1,2) |
| 74.07 | 1.2799 | 1.7 | (2,1,5) |
| 74.28 | 1.2768 | 10.2 | (1,1,6) |
| 75.87 | 1.2540 | 10.2 | (2,2,4) |
| 78.83 | 1.2142 | 1.5 | (3,2,1) |
Energy Properties
Formation Energy/atom
0.08726
eV/atom
Energy/atom
-3.56519
eV/atom
Energy above Hull
0.3242
eV/atom
Uncorrected Energy
-3.5652
eV/atom
Volume/atom
23.47
ų
c/a Ratio
1.8966
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.7171
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.004370
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.714
Element Family
PostTransition-Noble
Solute Fraction
0.286
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7963
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.6205
J/mol·K
Ω Parameter
0.7425
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.506%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2462
smaller = more stable mixing
VEC
4.714
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
7.064
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7248
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.416
Family
In-rich Multi-Component
Matrix Element
In · 0.714
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1078338
Reference Citation
The crystal structure and related material properties of TbIn5Co were obtained from the Materials Project database (MP-ID: mp-1078338, 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_TbIn5Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42444200
_cell_length_b 4.42444200
_cell_length_c 8.39134600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbIn5Co
_chemical_formula_sum 'Tb1 In5 Co1'
_cell_volume 164.26636290
_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 0.00000000 0.00000000 0.00000000 1.0
In In1 1 0.50000000 0.50000000 0.50000000 1.0
In In2 1 0.50000000 0.00000000 0.73859100 1.0
In In3 1 0.00000000 0.50000000 0.73859100 1.0
In In4 1 0.50000000 0.00000000 0.26140900 1.0
In In5 1 0.00000000 0.50000000 0.26140900 1.0
Co Co6 1 0.00000000 0.00000000 0.50000000 1.0
