Dy12BeIn2Tc3

High-Entropy Materials HEA

MP-ID: mp-3292605 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

Dy12BeIn2Tc3

MP-ID

mp-3292605

Elements

Sites

Density

8.8767

g/cm³

Volume

464.42

Å³

Cell a

8.4663

Cell b

8.4663

Cell c

8.4663

α Angle

112.95

β Angle

111.07

γ Angle

104.51

Space Group

Imm2

Point Group

mm2

Crystal System

Orthorhombic

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
12.58	7.0361	1.1	(0,1,-1)
12.58	7.0361	1.1	(1,0,0)
12.75	6.9436	3.1	(1,0,-1)
12.75	6.9436	3.1	(0,1,0)
13.23	6.6928	1.7	(1,-1,0)
17.11	5.1826	3.3	(1,1,-1)
18.98	4.6761	1.9	(1,-1,-1)
21.69	4.0977	1.6	(2,0,-1)
25.66	3.4718	15.4	(2,0,-2)
26.64	3.3464	5.1	(2,-2,0)
27.44	3.2502	24.1	(1,2,-2)
27.52	3.2409	2.6	(2,1,-2)
29.26	3.0524	17.1	(1,-2,2)
29.55	3.0226	4.1	(2,-2,1)
29.93	2.9853	1.9	(2,-1,-2)
30.15	2.9645	35.8	(2,-2,-1)
31.83	2.8113	100.0	(3,-1,-1)
33.58	2.6688	36.6	(2,1,-3)
34.35	2.6110	35.6	(0,2,-3)
34.35	2.6110	35.6	(3,-1,0)
34.62	2.5913	22.3	(2,2,-2)
34.87	2.5732	2.9	(2,0,-3)
35.11	2.5560	25.0	(0,1,-3)
35.11	2.5560	25.0	(3,-2,0)

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Energy Properties

Formation Energy/atom

-0.26274

eV/atom

Energy/atom

-28.66112

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.6611

eV/atom

Volume/atom

25.80

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7529

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001620

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9736

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.0949

J/mol·K

Ω Parameter

29.8803

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.765%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2841

smaller = more stable mixing

VEC

7.944

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.450

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7023

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfisr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292605

Reference Citation

The crystal structure and related material properties of Dy12BeIn2Tc3 were obtained from the Materials Project database (MP-ID: mp-3292605, 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_Dy12BeIn2Tc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46631084
_cell_length_b   8.46631096
_cell_length_c   8.46631163
_cell_angle_alpha   112.94781110
_cell_angle_beta   111.07161494
_cell_angle_gamma   104.51142475
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy12BeIn2Tc3
_chemical_formula_sum   'Dy12 Be1 In2 Tc3'
_cell_volume   464.42260849
_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  0.44820874  0.24646892  0.20174081  1.0
  Dy  Dy1  1  0.56456188  0.76103186  0.80352903  1.0
  Dy  Dy2  1  0.04472711  0.24646892  0.79825919  1.0
  Dy  Dy3  1  0.95750283  0.76103186  0.19647097  1.0
  Dy  Dy4  1  0.18893067  0.28855707  0.46810340  1.0
  Dy  Dy5  1  0.82045367  0.72082727  0.53189660  1.0
  Dy  Dy6  1  0.18893067  0.72082727  0.90037360  1.0
  Dy  Dy7  1  0.82045367  0.28855707  0.09962640  1.0
  Dy  Dy8  1  0.32316029  0.63889497  0.31573468  1.0
  Dy  Dy9  1  0.65834690  0.34003166  0.68168476  1.0
  Dy  Dy10  1  0.32316029  0.00742562  0.68426532  1.0
  Dy  Dy11  1  0.65834690  0.97666214  0.31831524  1.0
  Be  Be12  1  0.88795802  0.38795802  0.50000000  1.0
  In  In13  1  0.50239761  0.50239761  0.00000000  1.0
  In  In14  1  0.00600016  0.00600016  1.00000000  1.0
  Tc  Tc15  1  0.32564662  0.00224238  0.32340424  1.0
  Tc  Tc16  1  0.67883813  0.00224238  0.67659576  1.0
  Tc  Tc17  1  0.10237582  0.60237582  0.50000000  1.0

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