Dy2Tm8Cd3Ni

高熵材料 HEA

MP-ID: mp-3295647 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Dy2Tm8Cd3Ni

MP-ID

mp-3295647

Elements

Sites

Density

9.2558

g/cm³

Volume

743.60

Å³

Cell a

9.5180

Cell b

9.5180

Cell c

9.4837

α Angle

90.00

β Angle

90.00

γ Angle

120.06

Space Group

Amm2

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
14.23	6.2224	1.0	(1,-1,0,1)
14.24	6.2192	1.8	(1,0,-1,1)
21.62	4.1106	2.2	(1,-1,0,2)
21.62	4.1096	4.0	(1,0,-1,2)
26.54	3.3590	2.4	(2,-1,-1,2)
26.55	3.3575	1.3	(1,1,-2,2)
28.65	3.1160	25.0	(3,-2,-1,0)
28.66	3.1148	12.6	(3,-1,-2,0)
28.66	3.1148	12.6	(1,-3,2,0)
28.68	3.1128	25.2	(2,1,-3,0)
28.69	3.1112	13.6	(2,-2,0,2)
28.71	3.1096	13.5	(2,0,-2,2)
28.71	3.1096	13.5	(0,2,-2,2)
30.19	2.9603	3.4	(3,-2,-1,1)
30.20	2.9593	1.7	(3,-1,-2,1)
30.20	2.9593	1.7	(1,-3,2,1)
30.22	2.9576	3.5	(2,1,-3,1)
30.28	2.9517	36.6	(1,-1,0,3)
30.28	2.9514	72.6	(1,0,-1,3)
32.58	2.7484	17.1	(3,-3,0,0)
32.61	2.7460	34.1	(3,0,-3,0)
33.96	2.6398	74.5	(3,-3,0,1)
33.99	2.6376	74.9	(3,0,-3,1)
33.99	2.6376	74.9	(0,3,-3,1)

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Energy Properties

Formation Energy/atom

-0.28573

eV/atom

Energy/atom

-30.08777

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.0878

eV/atom

Volume/atom

26.56

Å³

c/a Ratio

0.9964

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.4154

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000560

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.571

Element Family

Lanthanide

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

81.6529

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.164%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2322

smaller = more stable mixing

VEC

12.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.174

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnfr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295647

Reference Citation

The crystal structure and related material properties of Dy2Tm8Cd3Ni were obtained from the Materials Project database (MP-ID: mp-3295647, 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_Dy2Tm8Cd3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51799231
_cell_length_b   9.51799064
_cell_length_c   9.48369436
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.05952852
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Tm8Cd3Ni
_chemical_formula_sum   'Dy4 Tm16 Cd6 Ni2'
_cell_volume   743.59760070
_cell_formula_units_Z   2
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  0.54305966  0.45694034  0.25000000  1.0
  Dy  Dy1  1  0.54321993  0.08696132  0.25000000  1.0
  Dy  Dy2  1  0.91303868  0.45677907  0.25000000  1.0
  Dy  Dy3  1  0.45545034  0.54454866  0.75000000  1.0
  Tm  Tm4  1  0.00026931  0.99973069  0.49988577  1.0
  Tm  Tm5  1  0.00026931  0.99973069  0.00011423  1.0
  Tm  Tm6  1  0.45614512  0.91359582  0.75000000  1.0
  Tm  Tm7  1  0.08640318  0.54385488  0.75000000  1.0
  Tm  Tm8  1  0.21122925  0.78877175  0.43731523  1.0
  Tm  Tm9  1  0.21025295  0.42187283  0.43667595  1.0
  Tm  Tm10  1  0.57812817  0.78974705  0.43667695  1.0
  Tm  Tm11  1  0.78976111  0.21023789  0.56534779  1.0
  Tm  Tm12  1  0.79012082  0.57885860  0.56531823  1.0
  Tm  Tm13  1  0.42114140  0.20987818  0.56531823  1.0
  Tm  Tm14  1  0.78976111  0.21023789  0.93465221  1.0
  Tm  Tm15  1  0.79012082  0.57885860  0.93468177  1.0
  Tm  Tm16  1  0.42114140  0.20987818  0.93468177  1.0
  Tm  Tm17  1  0.21122925  0.78877175  0.06268477  1.0
  Tm  Tm18  1  0.21025295  0.42187283  0.06332405  1.0
  Tm  Tm19  1  0.57812817  0.78974705  0.06332305  1.0
  Cd  Cd20  1  0.88526781  0.11473419  0.25000000  1.0
  Cd  Cd21  1  0.88554577  0.77054100  0.25000000  1.0
  Cd  Cd22  1  0.22945800  0.11445523  0.25000000  1.0
  Cd  Cd23  1  0.11590959  0.88408941  0.75000000  1.0
  Cd  Cd24  1  0.11436788  0.23070799  0.75000000  1.0
  Cd  Cd25  1  0.76929201  0.88563212  0.75000000  1.0
  Ni  Ni26  1  0.33340085  0.66660115  0.25000000  1.0
  Ni  Ni27  1  0.66763415  0.33236685  0.75000000  1.0

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