Dy12Co5Hg

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296656 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Dy12Co5Hg

MP-ID

mp-3296656

Elements

Sites

Density

9.4753

g/cm³

Volume

428.53

Å³

Cell a

8.2289

Cell b

8.2289

Cell c

8.2289

α Angle

110.94

β Angle

110.00

γ Angle

107.49

Space Group

Immm

Point Group

mmm

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
23.01	3.8651	3.3	(2,-1,0)
23.15	3.8421	1.8	(2,-1,-1)
26.47	3.3674	8.3	(2,0,-2)
26.87	3.3176	1.3	(2,-2,0)
26.87	3.3176	1.3	(0,0,2)
29.10	3.0682	8.2	(2,1,-1)
29.14	3.0643	20.1	(2,1,-2)
29.84	2.9939	35.8	(2,-1,1)
29.97	2.9814	6.1	(2,-2,1)
30.17	2.9620	2.3	(2,-1,-2)
30.26	2.9534	36.2	(2,-2,-1)
32.67	2.7412	100.0	(3,-1,-1)
32.67	2.7412	33.3	(1,1,-3)
34.91	2.5701	1.1	(3,0,-1)
35.01	2.5633	67.5	(3,0,-2)
35.30	2.5423	31.3	(3,-1,0)
35.30	2.5423	31.3	(1,-3,2)
35.56	2.5248	2.7	(3,-1,-2)
35.63	2.5195	21.6	(3,-2,0)
35.79	2.5089	34.1	(3,-2,-1)
36.94	2.4333	18.0	(2,2,-2)
38.14	2.3598	9.3	(2,-2,2)
38.61	2.3322	28.0	(2,-2,-2)
39.44	2.2845	5.5	(3,1,-2)

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Energy Properties

Formation Energy/atom

-0.18052

eV/atom

Energy/atom

-27.92056

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.9206

eV/atom

Volume/atom

23.81

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0822

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002530

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

0.7867

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.5406

J/mol·K

Ω Parameter

270.7970

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.921%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3216

smaller = more stable mixing

VEC

9.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.039

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7161

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.639

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.667

Related Tasks

Related computation task IDs (1)

aaahfosm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296656

Reference Citation

The crystal structure and related material properties of Dy12Co5Hg were obtained from the Materials Project database (MP-ID: mp-3296656, 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_Dy12Co5Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22886440
_cell_length_b   8.22886396
_cell_length_c   8.22886377
_cell_angle_alpha   110.94232678
_cell_angle_beta   110.00346397
_cell_angle_gamma   107.48733703
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy12Co5Hg
_chemical_formula_sum   'Dy12 Co5 Hg1'
_cell_volume   428.52730806
_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  0.81702015  0.71138783  0.52840798  1.0
  Dy  Dy1  1  0.18297985  0.28861217  0.47159202  1.0
  Dy  Dy2  1  0.18297985  0.71138783  0.89436569  1.0
  Dy  Dy3  1  0.81702015  0.28861217  0.10563431  1.0
  Dy  Dy4  1  0.68418501  0.38180427  0.69761926  1.0
  Dy  Dy5  1  0.31581499  0.61819573  0.30238074  1.0
  Dy  Dy6  1  0.68418501  0.98656475  0.30238074  1.0
  Dy  Dy7  1  0.31581499  0.01343525  0.69761926  1.0
  Dy  Dy8  1  0.59032647  0.78515450  0.80517197  1.0
  Dy  Dy9  1  0.40967353  0.21484550  0.19482803  1.0
  Dy  Dy10  1  0.97998253  0.78515450  0.19482803  1.0
  Dy  Dy11  1  0.02001747  0.21484550  0.80517197  1.0
  Co  Co12  1  0.62008003  0.00000000  0.62008003  1.0
  Co  Co13  1  0.37991997  1.00000000  0.37991997  1.0
  Co  Co14  1  0.11156874  0.61156874  0.50000000  1.0
  Co  Co15  1  0.88843126  0.38843126  0.50000000  1.0
  Co  Co16  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg17  1  0.50000000  0.50000000  0.00000000  1.0

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