Dy8Tc3B24Os

High-Entropy Materials HEA

MP-ID: mp-3292450 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy8Tc3B24Os

MP-ID

mp-3292450

Elements

Sites

Density

8.7543

g/cm³

Volume

387.65

Å³

Cell a

3.6740

Cell b

9.1486

Cell c

11.5330

α Angle

89.96

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
7.67	11.5330	3.1	(0,0,1)
9.67	9.1486	2.0	(0,1,0)
12.34	7.1701	2.0	(0,1,1)
15.37	5.7665	1.1	(0,0,2)
24.22	3.6740	100.0	(1,0,0)
24.84	3.5851	2.2	(0,2,2)
25.12	3.5451	1.1	(0,1,3)
30.31	2.9488	20.3	(0,3,1)
30.32	2.9476	16.6	(0,3,-1)
30.36	2.9442	17.6	(0,2,3)
30.38	2.9419	16.5	(0,2,-3)
31.02	2.8833	24.0	(0,0,4)
32.20	2.7797	1.3	(1,2,-1)
32.55	2.7505	13.2	(0,1,4)
32.57	2.7493	14.3	(0,1,-4)
33.22	2.6967	11.2	(0,3,2)
33.25	2.6949	14.2	(0,3,-2)
34.97	2.5659	2.2	(1,2,2)
35.18	2.5511	1.2	(1,1,3)
36.86	2.4383	1.4	(0,2,-4)
37.64	2.3900	5.3	(0,3,3)
37.66	2.3882	5.3	(0,3,-3)
39.17	2.2997	24.6	(1,3,1)
39.18	2.2992	20.4	(1,3,-1)

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Energy Properties

Formation Energy/atom

-0.72874

eV/atom

Energy/atom

-16.36891

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.3689

eV/atom

Volume/atom

10.77

Å³

c/a Ratio

3.1391

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0048

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

21.3735

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.166%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3404

smaller = more stable mixing

VEC

4.861

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.792

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6573

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfims

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292450

Reference Citation

The crystal structure and related material properties of Dy8Tc3B24Os were obtained from the Materials Project database (MP-ID: mp-3292450, 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_Dy8Tc3B24Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67404216
_cell_length_b   9.14860420
_cell_length_c   11.53300956
_cell_angle_alpha   89.95515083
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy8Tc3B24Os
_chemical_formula_sum   'Dy8 Tc3 B24 Os1'
_cell_volume   387.65152259
_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
  Dy  Dy0  1  0.00000000  0.32430859  0.41390928  1.0
  Dy  Dy1  1  0.00000000  0.67454014  0.58354168  1.0
  Dy  Dy2  1  0.00000000  0.82337216  0.08733827  1.0
  Dy  Dy3  1  0.00000000  0.17733455  0.91509086  1.0
  Dy  Dy4  1  0.00000000  0.94218151  0.36949024  1.0
  Dy  Dy5  1  0.00000000  0.05864050  0.63037871  1.0
  Dy  Dy6  1  0.00000000  0.44258922  0.13078384  1.0
  Dy  Dy7  1  0.00000000  0.55720524  0.86898383  1.0
  Tc  Tc8  1  0.00000000  0.63786532  0.32082845  1.0
  Tc  Tc9  1  0.00000000  0.36193555  0.67999622  1.0
  Tc  Tc10  1  0.00000000  0.13719329  0.17820071  1.0
  B  B11  1  0.50000000  0.55317825  0.43267542  1.0
  B  B12  1  0.50000000  0.44667514  0.56715640  1.0
  B  B13  1  0.50000000  0.05322525  0.06707237  1.0
  B  B14  1  0.50000000  0.94625312  0.93278200  1.0
  B  B15  1  0.50000000  0.74808266  0.41834623  1.0
  B  B16  1  0.50000000  0.25189463  0.58165097  1.0
  B  B17  1  0.50000000  0.24867971  0.08169574  1.0
  B  B18  1  0.50000000  0.75208128  0.91812740  1.0
  B  B19  1  0.50000000  0.79098859  0.26539220  1.0
  B  B20  1  0.50000000  0.20917170  0.73507843  1.0
  B  B21  1  0.50000000  0.29087935  0.23467527  1.0
  B  B22  1  0.50000000  0.70978738  0.76524074  1.0
  B  B23  1  0.50000000  0.63095750  0.18595169  1.0
  B  B24  1  0.50000000  0.36919361  0.81453677  1.0
  B  B25  1  0.50000000  0.13052825  0.31381405  1.0
  B  B26  1  0.50000000  0.86920247  0.68600826  1.0
  B  B27  1  0.50000000  0.98217667  0.21170715  1.0
  B  B28  1  0.50000000  0.01685640  0.78845200  1.0
  B  B29  1  0.50000000  0.48255648  0.28815572  1.0
  B  B30  1  0.50000000  0.51729582  0.71161356  1.0
  B  B31  1  0.50000000  0.60188027  0.02811341  1.0
  B  B32  1  0.50000000  0.39899008  0.97163319  1.0
  B  B33  1  0.50000000  0.10159738  0.47177448  1.0
  B  B34  1  0.50000000  0.89840197  0.52872235  1.0
  Os  Os35  1  0.00000000  0.86229893  0.82108311  1.0

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