Tb8Tc3B24Ru

高熵材料 HEA

MP-ID: mp-3293539 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Tb8Tc3B24Ru

MP-ID

mp-3293539

Elements

Sites

Density

8.1606

g/cm³

Volume

391.89

Å³

Cell a

3.6940

Cell b

9.1740

Cell c

11.5642

α Angle

89.92

β Angle

90.00

γ Angle

90.00

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
20.82	4.2659	1.9	(0,2,1)
20.84	4.2618	2.1	(0,2,-1)
24.09	3.6940	100.0	(1,0,0)
24.76	3.5960	1.3	(0,2,2)
24.79	3.5911	1.1	(0,2,-2)
25.04	3.5556	1.4	(0,1,3)
25.07	3.5520	1.4	(0,1,-3)
30.22	2.9574	19.2	(0,3,1)
30.24	2.9554	18.4	(0,3,-1)
30.27	2.9531	18.0	(0,2,3)
30.31	2.9490	17.6	(0,2,-3)
30.93	2.8911	25.3	(0,0,4)
32.05	2.7925	2.3	(1,2,1)
32.06	2.7914	2.5	(1,2,-1)
32.46	2.7585	13.0	(0,1,4)
32.48	2.7563	13.4	(0,1,-4)
33.12	2.7048	12.7	(0,3,2)
33.16	2.7017	13.0	(0,3,-2)
34.82	2.5767	1.4	(1,2,2)
34.84	2.5749	1.2	(1,2,-2)
35.03	2.5617	1.6	(1,1,3)
35.05	2.5604	1.5	(1,1,-3)
37.52	2.3973	4.5	(0,3,3)
37.57	2.3941	4.8	(0,3,-3)

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Energy Properties

Formation Energy/atom

-0.71162

eV/atom

Energy/atom

-15.41835

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.4184

eV/atom

Volume/atom

10.89

Å³

c/a Ratio

3.1306

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0047

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.667

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9112

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5754

J/mol·K

Ω Parameter

18.6157

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.160%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3899

smaller = more stable mixing

VEC

4.639

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.896

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6573

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkcp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293539

Reference Citation

The crystal structure and related material properties of Tb8Tc3B24Ru were obtained from the Materials Project database (MP-ID: mp-3293539, 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_Tb8Tc3B24Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69397414
_cell_length_b   9.17400390
_cell_length_c   11.56422966
_cell_angle_alpha   89.91994491
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb8Tc3B24Ru
_chemical_formula_sum   'Tb8 Tc3 B24 Ru1'
_cell_volume   391.89439778
_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  0.32416008  0.41388152  1.0
  Tb  Tb1  1  0.00000000  0.67427055  0.58332520  1.0
  Tb  Tb2  1  0.00000000  0.82351388  0.08739414  1.0
  Tb  Tb3  1  0.00000000  0.17730576  0.91507125  1.0
  Tb  Tb4  1  0.00000000  0.94213506  0.36954437  1.0
  Tb  Tb5  1  0.00000000  0.05828575  0.63119113  1.0
  Tb  Tb6  1  0.00000000  0.44255108  0.13078268  1.0
  Tb  Tb7  1  0.00000000  0.55829044  0.86850093  1.0
  Tc  Tc8  1  0.00000000  0.63771688  0.32077555  1.0
  Tc  Tc9  1  0.00000000  0.36199940  0.67981196  1.0
  Tc  Tc10  1  0.00000000  0.13726832  0.17832300  1.0
  B  B11  1  0.50000000  0.55309351  0.43236263  1.0
  B  B12  1  0.50000000  0.44639485  0.56719457  1.0
  B  B13  1  0.50000000  0.05334383  0.06727002  1.0
  B  B14  1  0.50000000  0.94602409  0.93249341  1.0
  B  B15  1  0.50000000  0.74753316  0.41806881  1.0
  B  B16  1  0.50000000  0.25198204  0.58200023  1.0
  B  B17  1  0.50000000  0.24828285  0.08191013  1.0
  B  B18  1  0.50000000  0.75277691  0.91786970  1.0
  B  B19  1  0.50000000  0.79060227  0.26555797  1.0
  B  B20  1  0.50000000  0.20966154  0.73512256  1.0
  B  B21  1  0.50000000  0.29048155  0.23444849  1.0
  B  B22  1  0.50000000  0.71050858  0.76532285  1.0
  B  B23  1  0.50000000  0.63111388  0.18616786  1.0
  B  B24  1  0.50000000  0.36931019  0.81427796  1.0
  B  B25  1  0.50000000  0.13057573  0.31353951  1.0
  B  B26  1  0.50000000  0.86894343  0.68639366  1.0
  B  B27  1  0.50000000  0.98261117  0.21169790  1.0
  B  B28  1  0.50000000  0.01614749  0.78877139  1.0
  B  B29  1  0.50000000  0.48298498  0.28810606  1.0
  B  B30  1  0.50000000  0.51681765  0.71133628  1.0
  B  B31  1  0.50000000  0.60240143  0.02816260  1.0
  B  B32  1  0.50000000  0.39911356  0.97139160  1.0
  B  B33  1  0.50000000  0.10163364  0.47199112  1.0
  B  B34  1  0.50000000  0.89792318  0.52893034  1.0
  Ru  Ru35  1  0.00000000  0.86224126  0.82100863  1.0

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