Tb10CoAg3

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295527 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Tb10CoAg3

MP-ID

mp-3295527

Elements

Sites

Density

8.8244

g/cm³

Volume

742.09

Å³

Cell a

9.4482

Cell b

9.4482

Cell c

9.5989

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
21.46	4.1399	1.9	(1,0,-1,2)
26.47	3.3668	1.3	(2,-1,-1,2)
28.67	3.1135	14.5	(2,0,-2,2)
28.87	3.0927	23.0	(3,-1,-2,0)
29.99	2.9799	36.5	(1,0,-1,3)
30.36	2.9437	3.4	(3,-1,-2,1)
32.84	2.7275	17.0	(3,0,-3,0)
34.18	2.6236	49.7	(3,-3,0,1)
34.18	2.6236	24.8	(3,0,-3,1)
34.50	2.5997	100.0	(3,-1,-2,2)
35.62	2.5204	39.4	(2,0,-2,3)
37.48	2.3997	10.4	(0,0,0,4)
37.94	2.3713	1.7	(3,0,-3,2)
38.10	2.3621	12.6	(4,-2,-2,0)
39.12	2.3027	1.1	(1,0,-1,4)
40.57	2.2237	4.2	(3,-1,-2,3)
43.73	2.0699	6.3	(2,0,-2,4)
44.28	2.0456	1.1	(4,-4,0,0)
48.37	1.8818	1.5	(0,4,-4,2)
48.37	1.8818	3.0	(4,0,-4,2)
48.72	1.8690	2.2	(1,0,-1,5)
49.22	1.8511	5.9	(4,-1,-3,3)
51.16	1.7856	1.4	(5,-1,-4,0)
52.10	1.7554	4.1	(5,-1,-4,1)

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Energy Properties

Formation Energy/atom

-0.20658

eV/atom

Energy/atom

-28.03274

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.0327

eV/atom

Volume/atom

26.50

Å³

c/a Ratio

1.0160

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0382

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

63.7385

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.158%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3695

smaller = more stable mixing

VEC

9.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.154

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnbb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295527

Reference Citation

The crystal structure and related material properties of Tb10CoAg3 were obtained from the Materials Project database (MP-ID: mp-3295527, 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_Tb10CoAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44821956
_cell_length_b   9.44822036
_cell_length_c   9.59893758
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000060
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb10CoAg3
_chemical_formula_sum   'Tb20 Co2 Ag6'
_cell_volume   742.08522926
_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  0.00000000  0.00000000  0.50000000  1.0
  Tb  Tb1  1  0.00000000  0.00000000  0.00000000  1.0
  Tb  Tb2  1  0.54252890  0.45747110  0.25000000  1.0
  Tb  Tb3  1  0.54252890  0.08505980  0.25000000  1.0
  Tb  Tb4  1  0.91494020  0.45747110  0.25000000  1.0
  Tb  Tb5  1  0.45747110  0.54252890  0.75000000  1.0
  Tb  Tb6  1  0.45747110  0.91494020  0.75000000  1.0
  Tb  Tb7  1  0.08505980  0.54252890  0.75000000  1.0
  Tb  Tb8  1  0.21066910  0.78933090  0.43674927  1.0
  Tb  Tb9  1  0.21066910  0.42133920  0.43674927  1.0
  Tb  Tb10  1  0.57866080  0.78933090  0.43674927  1.0
  Tb  Tb11  1  0.78933090  0.21066910  0.56325073  1.0
  Tb  Tb12  1  0.78933090  0.57866080  0.56325073  1.0
  Tb  Tb13  1  0.42133920  0.21066910  0.56325073  1.0
  Tb  Tb14  1  0.78933090  0.21066910  0.93674927  1.0
  Tb  Tb15  1  0.78933090  0.57866080  0.93674927  1.0
  Tb  Tb16  1  0.42133920  0.21066910  0.93674927  1.0
  Tb  Tb17  1  0.21066910  0.78933090  0.06325073  1.0
  Tb  Tb18  1  0.21066910  0.42133920  0.06325073  1.0
  Tb  Tb19  1  0.57866080  0.78933090  0.06325073  1.0
  Co  Co20  1  0.33333300  0.66666700  0.25000000  1.0
  Co  Co21  1  0.66666700  0.33333300  0.75000000  1.0
  Ag  Ag22  1  0.88458528  0.11541472  0.25000000  1.0
  Ag  Ag23  1  0.88458528  0.76916856  0.25000000  1.0
  Ag  Ag24  1  0.23083144  0.11541472  0.25000000  1.0
  Ag  Ag25  1  0.11541472  0.88458528  0.75000000  1.0
  Ag  Ag26  1  0.11541472  0.23083144  0.75000000  1.0
  Ag  Ag27  1  0.76916856  0.88458528  0.75000000  1.0

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