Tb12CdCo5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296823 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Tb12CdCo5

MP-ID

mp-3296823

Elements

Sites

Density

8.7290

g/cm³

Volume

440.23

Å³

Cell a

8.3031

Cell b

8.3031

Cell c

8.3031

α Angle

110.99

β Angle

109.95

γ Angle

107.50

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
13.03	6.7932	1.5	(0,1,0)
13.22	6.6953	5.0	(1,-1,0)
26.06	3.4196	2.1	(0,2,-2)
26.06	3.4196	2.1	(2,0,0)
26.24	3.3966	18.4	(0,2,0)
26.63	3.3477	4.1	(2,-2,0)
26.63	3.3477	4.1	(0,0,2)
28.84	3.0958	9.4	(1,2,-2)
28.84	3.0958	9.4	(2,1,-1)
28.88	3.0915	30.6	(1,2,-1)
29.55	3.0227	51.9	(1,-2,2)
29.68	3.0099	15.0	(2,-2,1)
29.91	2.9872	4.3	(1,-2,-1)
29.91	2.9872	4.3	(2,-1,-2)
30.00	2.9788	52.5	(2,-2,-1)
32.37	2.7659	100.0	(1,1,-3)
32.37	2.7659	100.0	(3,-1,-1)
34.58	2.5935	1.5	(0,3,-2)
34.58	2.5935	4.6	(1,2,-3)
34.69	2.5860	99.2	(0,3,-1)
34.97	2.5661	90.2	(1,-3,2)
35.24	2.5467	8.4	(1,-3,0)
35.30	2.5429	44.2	(2,-3,1)
35.47	2.5311	50.0	(2,-3,0)

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Energy Properties

Formation Energy/atom

-0.14416

eV/atom

Energy/atom

-25.75490

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.7549

eV/atom

Volume/atom

24.46

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.2301

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002790

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 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

25.6562

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.921%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3551

smaller = more stable mixing

VEC

9.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.410

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7161

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.639

Family

Tb-rich Multi-Component

Matrix Element

Tb · 0.667

Related Tasks

Related computation task IDs (1)

aaahfoyx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296823

Reference Citation

The crystal structure and related material properties of Tb12CdCo5 were obtained from the Materials Project database (MP-ID: mp-3296823, 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_Tb12CdCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30313776
_cell_length_b   8.30313897
_cell_length_c   8.30313805
_cell_angle_alpha   110.98600512
_cell_angle_beta   109.95077231
_cell_angle_gamma   107.49650003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb12CdCo5
_chemical_formula_sum   'Tb12 Cd1 Co5'
_cell_volume   440.23308148
_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  0.81697864  0.70943336  0.52641200  1.0
  Tb  Tb1  1  0.18302136  0.29056664  0.47358800  1.0
  Tb  Tb2  1  0.18302136  0.70943336  0.89245573  1.0
  Tb  Tb3  1  0.81697864  0.29056664  0.10754427  1.0
  Tb  Tb4  1  0.68490140  0.38159251  0.69669111  1.0
  Tb  Tb5  1  0.31509860  0.61840749  0.30330889  1.0
  Tb  Tb6  1  0.68490140  0.98820929  0.30330889  1.0
  Tb  Tb7  1  0.31509860  0.01179071  0.69669111  1.0
  Tb  Tb8  1  0.59364680  0.78913328  0.80451452  1.0
  Tb  Tb9  1  0.40635320  0.21086672  0.19548548  1.0
  Tb  Tb10  1  0.98461876  0.78913328  0.19548548  1.0
  Tb  Tb11  1  0.01538124  0.21086672  0.80451452  1.0
  Cd  Cd12  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co13  1  0.61861006  1.00000000  0.61861006  1.0
  Co  Co14  1  0.38138994  0.00000000  0.38138994  1.0
  Co  Co15  1  0.11088677  0.61088677  0.50000000  1.0
  Co  Co16  1  0.88911323  0.38911323  0.50000000  1.0
  Co  Co17  1  0.00000000  0.00000000  0.00000000  1.0

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