TbTm11CoTc3

高熵材料 HEA

MP-ID: mp-3295849 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

TbTm11CoTc3

MP-ID

mp-3295849

Elements

Sites

Density

9.8469

g/cm³

Volume

399.69

Å³

Cell a

6.1797

Cell b

7.2106

Cell c

8.9699

α Angle

90.00

β Angle

90.00

γ Angle

90.14

Space Group

Point Group

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
18.89	4.6981	2.1	(1,-1,0)
18.94	4.6864	2.3	(1,1,0)
21.35	4.1618	2.8	(1,-1,1)
21.39	4.1537	1.6	(1,1,1)
24.69	3.6053	1.9	(0,2,0)
26.65	3.3452	14.3	(0,2,1)
27.49	3.2441	11.5	(1,-1,2)
27.53	3.2402	10.0	(1,1,2)
28.63	3.1175	11.0	(1,-2,0)
28.70	3.1107	12.2	(1,2,0)
28.90	3.0898	3.9	(2,0,0)
30.35	2.9447	21.5	(1,-2,1)
30.41	2.9390	29.3	(1,2,1)
31.47	2.8427	39.6	(2,-1,0)
31.53	2.8375	29.7	(2,1,0)
31.85	2.8100	69.9	(0,2,2)
33.06	2.7098	43.3	(2,-1,1)
33.11	2.7054	42.8	(2,1,1)
33.29	2.6915	100.0	(1,0,3)
35.05	2.5598	36.9	(1,-2,2)
35.11	2.5560	40.4	(1,2,2)
35.27	2.5445	21.0	(2,0,2)
35.59	2.5225	37.1	(1,-1,3)
35.62	2.5206	30.2	(1,1,3)

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Energy Properties

Formation Energy/atom

-0.14275

eV/atom

Energy/atom

-31.93564

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.9356

eV/atom

Volume/atom

24.98

Å³

c/a Ratio

1.4515

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0131

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.688

Element Family

Lanthanide

Solute Fraction

0.313

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9180

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6326

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.273%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2870

smaller = more stable mixing

VEC

11.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6622

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnnl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295849

Reference Citation

The crystal structure and related material properties of TbTm11CoTc3 were obtained from the Materials Project database (MP-ID: mp-3295849, 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_TbTm11CoTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17969422
_cell_length_b   7.21057863
_cell_length_c   8.96990465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.14381477
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbTm11CoTc3
_chemical_formula_sum   'Tb1 Tm11 Co1 Tc3'
_cell_volume   399.69025722
_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  0.37631928  0.94839269  0.75000000  1.0
  Tm  Tm1  1  0.33283812  0.67632762  0.06554365  1.0
  Tm  Tm2  1  0.16087858  0.17694390  0.43683358  1.0
  Tm  Tm3  1  0.66433820  0.32897620  0.56489076  1.0
  Tm  Tm4  1  0.83529603  0.82106779  0.93718075  1.0
  Tm  Tm5  1  0.66433820  0.32897620  0.93510924  1.0
  Tm  Tm6  1  0.83529603  0.82106779  0.56281925  1.0
  Tm  Tm7  1  0.33283812  0.67632762  0.43445635  1.0
  Tm  Tm8  1  0.16087858  0.17694390  0.06316642  1.0
  Tm  Tm9  1  0.87229262  0.54412122  0.25000000  1.0
  Tm  Tm10  1  0.62590701  0.04346724  0.25000000  1.0
  Tm  Tm11  1  0.14071783  0.45458373  0.75000000  1.0
  Co  Co12  1  0.53463030  0.61484972  0.75000000  1.0
  Tc  Tc13  1  0.03587891  0.88709504  0.25000000  1.0
  Tc  Tc14  1  0.46361153  0.38855920  0.25000000  1.0
  Tc  Tc15  1  0.96394265  0.11229615  0.75000000  1.0

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