Ho8Re3TcB24

高熵材料 HEA

MP-ID: mp-3295287 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho8Re3TcB24

MP-ID

mp-3295287

Elements

Sites

Density

9.6368

g/cm³

Volume

385.21

Å³

Cell a

3.6646

Cell b

9.1378

Cell c

11.5036

α Angle

90.03

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
7.69	11.5036	2.5	(0,0,1)
9.68	9.1378	1.5	(0,1,0)
12.37	7.1572	1.5	(0,1,-1)
15.41	5.7518	3.1	(0,0,2)
18.23	4.8665	2.0	(0,1,2)
24.29	3.6646	100.0	(1,0,0)
24.90	3.5765	1.3	(0,2,2)
30.35	2.9449	16.0	(0,3,-1)
30.36	2.9440	18.8	(0,3,1)
30.42	2.9380	15.0	(0,2,-3)
30.44	2.9363	15.7	(0,2,3)
31.10	2.8759	21.2	(0,0,4)
32.64	2.7437	15.0	(0,1,-4)
32.65	2.7428	14.4	(0,1,4)
33.28	2.6925	13.3	(0,3,-2)
33.29	2.6911	10.8	(0,3,2)
35.06	2.5596	1.4	(1,2,2)
36.92	2.4345	1.1	(0,2,-4)
37.71	2.3857	6.3	(0,3,-3)
37.73	2.3844	6.7	(0,3,3)
39.25	2.2955	19.4	(1,3,-1)
39.25	2.2951	22.5	(1,3,1)
39.30	2.2923	18.3	(1,2,-3)
39.32	2.2915	19.1	(1,2,3)

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Energy Properties

Formation Energy/atom

-0.71800

eV/atom

Energy/atom

-18.01133

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.0113

eV/atom

Volume/atom

10.70

Å³

c/a Ratio

3.1392

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

7.9152

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.211%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3313

smaller = more stable mixing

VEC

5.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.208

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6573

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmrv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295287

Reference Citation

The crystal structure and related material properties of Ho8Re3TcB24 were obtained from the Materials Project database (MP-ID: mp-3295287, 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_Ho8Re3TcB24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66455091
_cell_length_b   9.13780502
_cell_length_c   11.50360157
_cell_angle_alpha   90.03360805
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Re3TcB24
_chemical_formula_sum   'Ho8 Re3 Tc1 B24'
_cell_volume   385.20898004
_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
  Ho  Ho0  1  0.00000000  0.32377331  0.41398475  1.0
  Ho  Ho1  1  0.00000000  0.67645313  0.58581840  1.0
  Ho  Ho2  1  0.00000000  0.82366409  0.08589096  1.0
  Ho  Ho3  1  0.00000000  0.17665737  0.91405431  1.0
  Ho  Ho4  1  0.00000000  0.94155555  0.36915775  1.0
  Ho  Ho5  1  0.00000000  0.05734084  0.63019956  1.0
  Ho  Ho6  1  0.00000000  0.44315622  0.13129554  1.0
  Ho  Ho7  1  0.00000000  0.55745064  0.86973560  1.0
  Re  Re8  1  0.00000000  0.36147808  0.67929057  1.0
  Re  Re9  1  0.00000000  0.13851572  0.17940723  1.0
  Re  Re10  1  0.00000000  0.86152605  0.82062758  1.0
  Tc  Tc11  1  0.00000000  0.63861727  0.32057540  1.0
  B  B12  1  0.50000000  0.55334551  0.43277568  1.0
  B  B13  1  0.50000000  0.44691027  0.56692093  1.0
  B  B14  1  0.50000000  0.05333893  0.06696791  1.0
  B  B15  1  0.50000000  0.94695968  0.93290683  1.0
  B  B16  1  0.50000000  0.74867388  0.41849536  1.0
  B  B17  1  0.50000000  0.25086834  0.58126249  1.0
  B  B18  1  0.50000000  0.24941628  0.08140419  1.0
  B  B19  1  0.50000000  0.75096433  0.91867843  1.0
  B  B20  1  0.50000000  0.79134844  0.26494063  1.0
  B  B21  1  0.50000000  0.20827899  0.73488978  1.0
  B  B22  1  0.50000000  0.29164764  0.23517978  1.0
  B  B23  1  0.50000000  0.70830961  0.76504202  1.0
  B  B24  1  0.50000000  0.63066270  0.18576141  1.0
  B  B25  1  0.50000000  0.36954248  0.81446690  1.0
  B  B26  1  0.50000000  0.13028025  0.31449049  1.0
  B  B27  1  0.50000000  0.86942390  0.68547265  1.0
  B  B28  1  0.50000000  0.98192441  0.21154911  1.0
  B  B29  1  0.50000000  0.01801006  0.78819934  1.0
  B  B30  1  0.50000000  0.48231968  0.28855086  1.0
  B  B31  1  0.50000000  0.51799762  0.71176853  1.0
  B  B32  1  0.50000000  0.59976263  0.02807332  1.0
  B  B33  1  0.50000000  0.40050514  0.97240959  1.0
  B  B34  1  0.50000000  0.09926482  0.47191819  1.0
  B  B35  1  0.50000000  0.90005814  0.52783694  1.0

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