Tb2Co3Si5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-10318 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Tb2Co3Si5

MP-ID

mp-10318

Elements

Sites

Density

7.0056

g/cm³

Volume

301.06

Å³

Cell a

7.8872

Cell b

7.8872

Cell c

5.5267

α Angle

70.78

β Angle

70.78

γ Angle

93.40

Space Group

C2/c

Point Group

2/m

Crystal System

Monoclinic

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
12.10	7.3145	2.4	(1,0,0)
18.70	4.7450	27.3	(1,1,0)
24.03	3.7039	54.4	(1,-1,1)
24.34	3.6572	6.0	(2,0,0)
24.47	3.6377	57.1	(2,0,1)
25.09	3.5491	17.0	(2,-1,0)
29.29	3.0497	6.4	(2,1,0)
31.16	2.8701	46.0	(2,-2,0)
32.42	2.7617	42.9	(1,1,2)
34.40	2.6070	4.0	(1,0,2)
35.04	2.5608	9.3	(2,1,2)
35.81	2.5075	90.9	(2,0,-1)
36.09	2.4886	3.5	(2,0,2)
36.38	2.4698	3.2	(2,-2,1)
36.59	2.4558	90.7	(3,-1,0)
36.68	2.4499	5.2	(3,-1,1)
36.74	2.4465	100.0	(3,1,1)
36.87	2.4382	3.8	(3,0,0)
37.09	2.4241	60.9	(0,0,2)
37.92	2.3725	22.4	(2,2,0)
38.28	2.3512	37.6	(2,2,2)
40.42	2.2317	3.9	(3,-2,0)
41.15	2.1936	1.5	(2,-1,2)
41.65	2.1684	9.3	(2,1,-1)

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Energy Properties

Formation Energy/atom

-0.72813

eV/atom

Energy/atom

-6.50839

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-6.5439

eV/atom

Volume/atom

15.05

Å³

c/a Ratio

0.7007

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0239

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000080

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5605

J/mol·K

Ω Parameter

0.6929

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.001%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3171

smaller = more stable mixing

VEC

6.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-21.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9372

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.480

Family

Interstitial Alloy

Matrix Element

Si · 0.500

Related Tasks

Related computation task IDs (5)

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Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10318

Reference Citation

The crystal structure and related material properties of Tb2Co3Si5 were obtained from the Materials Project database (MP-ID: mp-10318, 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…

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Raw CIF Data

# generated using pymatgen
data_Tb2Co3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88719500
_cell_length_b   7.88719500
_cell_length_c   5.52670442
_cell_angle_alpha   70.77772472
_cell_angle_beta   70.77772472
_cell_angle_gamma   93.40267668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Co3Si5
_chemical_formula_sum   'Tb4 Co6 Si10'
_cell_volume   301.06356940
_cell_formula_units_Z   2
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  0.86947000  0.59840100  0.76307900  1.0
  Tb  Tb1  1  0.40159900  0.13053000  0.73692100  1.0
  Tb  Tb2  1  0.13053000  0.40159900  0.23692100  1.0
  Tb  Tb3  1  0.59840100  0.86947000  0.26307900  1.0
  Co  Co4  1  0.53900000  0.26321100  0.12632100  1.0
  Co  Co5  1  0.99611000  0.00389000  0.25000000  1.0
  Co  Co6  1  0.26321100  0.53900000  0.62632100  1.0
  Co  Co7  1  0.46100000  0.73678900  0.87367900  1.0
  Co  Co8  1  0.73678900  0.46100000  0.37367900  1.0
  Co  Co9  1  0.00389000  0.99611000  0.75000000  1.0
  Si  Si10  1  0.77000200  0.22999800  0.75000000  1.0
  Si  Si11  1  0.22999800  0.77000200  0.25000000  1.0
  Si  Si12  1  0.51144900  0.48855100  0.75000000  1.0
  Si  Si13  1  0.48855100  0.51144900  0.25000000  1.0
  Si  Si14  1  0.21469800  0.78530200  0.75000000  1.0
  Si  Si15  1  0.78530200  0.21469800  0.25000000  1.0
  Si  Si16  1  0.06256900  0.26169300  0.83581300  1.0
  Si  Si17  1  0.26169300  0.06256900  0.33581300  1.0
  Si  Si18  1  0.93743100  0.73830700  0.16418700  1.0
  Si  Si19  1  0.73830700  0.93743100  0.66418700  1.0

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