Y8Tc3B24Rh

High-Entropy Materials HEA

MP-ID: mp-3293658 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Y8Tc3B24Rh

MP-ID

mp-3293658

Elements

Sites

Density

5.8347

g/cm³

Volume

389.22

Å³

Cell a

3.6822

Cell b

9.1569

Cell c

11.5436

α Angle

90.17

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
15.35	5.7718	5.4	(0,0,2)
18.14	4.8894	2.8	(0,1,-2)
18.19	4.8761	2.3	(0,1,2)
24.17	3.6822	100.0	(1,0,0)
28.76	3.1043	1.2	(1,0,2)
30.27	2.9531	19.3	(0,3,-1)
30.30	2.9501	16.1	(0,2,-3)
30.31	2.9487	17.8	(0,3,1)
30.39	2.9413	15.6	(0,2,3)
30.99	2.8859	22.0	(0,0,4)
32.50	2.7548	16.1	(0,1,-4)
32.56	2.7500	17.1	(0,1,4)
33.16	2.7016	12.7	(0,3,-2)
33.25	2.6949	13.6	(0,3,2)
37.56	2.3948	7.2	(0,3,-3)
37.67	2.3878	8.1	(0,3,3)
39.10	2.3037	26.2	(1,3,-1)
39.13	2.3023	22.2	(1,2,-3)
39.14	2.3016	24.4	(1,3,1)
39.20	2.2981	21.6	(1,2,3)
39.36	2.2892	5.5	(0,4,0)
39.68	2.2714	30.7	(1,0,4)
40.13	2.2468	1.2	(0,4,-1)
40.26	2.2403	1.7	(0,1,-5)

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Energy Properties

Formation Energy/atom

-0.71128

eV/atom

Energy/atom

-12.95716

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.9572

eV/atom

Volume/atom

10.81

Å³

c/a Ratio

3.1350

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0033

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.667

High-Entropy Alloy Features

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

0.7324

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

32.531%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3429

smaller = more stable mixing

VEC

3.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-23.071

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6573

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkhe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293658

Reference Citation

The crystal structure and related material properties of Y8Tc3B24Rh were obtained from the Materials Project database (MP-ID: mp-3293658, 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_Y8Tc3B24Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68221467
_cell_length_b   9.15684796
_cell_length_c   11.54357577
_cell_angle_alpha   90.17278463
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y8Tc3B24Rh
_chemical_formula_sum   'Y8 Tc3 B24 Rh1'
_cell_volume   389.21851371
_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
  Y  Y0  1  0.50000000  0.31901591  0.41615530  1.0
  Y  Y1  1  0.50000000  0.67727098  0.59091892  1.0
  Y  Y2  1  0.50000000  0.17612714  0.91307682  1.0
  Y  Y3  1  0.50000000  0.82788412  0.08065725  1.0
  Y  Y4  1  0.50000000  0.44037855  0.12934135  1.0
  Y  Y5  1  0.50000000  0.55708722  0.87076512  1.0
  Y  Y6  1  0.50000000  0.05626065  0.62962973  1.0
  Y  Y7  1  0.50000000  0.94404877  0.36936717  1.0
  Tc  Tc8  1  0.50000000  0.13800273  0.18025159  1.0
  Tc  Tc9  1  0.50000000  0.86177710  0.82088976  1.0
  Tc  Tc10  1  0.50000000  0.36262982  0.67757483  1.0
  B  B11  1  0.00000000  0.10280506  0.47078517  1.0
  B  B12  1  0.00000000  0.89407168  0.52836798  1.0
  B  B13  1  0.00000000  0.39634859  0.97165036  1.0
  B  B14  1  0.00000000  0.60472561  0.02982315  1.0
  B  B15  1  0.00000000  0.13118792  0.31447128  1.0
  B  B16  1  0.00000000  0.86822448  0.68630035  1.0
  B  B17  1  0.00000000  0.36926089  0.81333129  1.0
  B  B18  1  0.00000000  0.63173375  0.18458379  1.0
  B  B19  1  0.00000000  0.05402632  0.06694051  1.0
  B  B20  1  0.00000000  0.94717653  0.93204981  1.0
  B  B21  1  0.00000000  0.44639376  0.56716147  1.0
  B  B22  1  0.00000000  0.55419747  0.43338076  1.0
  B  B23  1  0.00000000  0.48385811  0.28817765  1.0
  B  B24  1  0.00000000  0.51732891  0.71210929  1.0
  B  B25  1  0.00000000  0.01694778  0.78743794  1.0
  B  B26  1  0.00000000  0.98364265  0.21148224  1.0
  B  B27  1  0.00000000  0.24818516  0.08185990  1.0
  B  B28  1  0.00000000  0.75275255  0.91833958  1.0
  B  B29  1  0.00000000  0.25145717  0.58172244  1.0
  B  B30  1  0.00000000  0.74830496  0.41985392  1.0
  B  B31  1  0.00000000  0.29100986  0.23519643  1.0
  B  B32  1  0.00000000  0.70878297  0.76592428  1.0
  B  B33  1  0.00000000  0.20906125  0.73408693  1.0
  B  B34  1  0.00000000  0.79029257  0.26522288  1.0
  Rh  Rh35  1  0.50000000  0.63774602  0.32111380  1.0

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