Dy12Ho8(Ir3Rh)3

高熵材料 HEA

MP-ID: mp-3295006 · Space group: P2 (#3)

Materials Project API

Basic Information

Formula

Dy12Ho8(Ir3Rh)3

MP-ID

mp-3295006

Elements

Sites

Density

11.9142

g/cm³

Volume

739.81

Å³

Cell a

10.7774

Cell b

10.7856

Cell c

6.3645

α Angle

90.00

β Angle

90.00

γ Angle

89.99

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
8.20	10.7856	3.2	(0,1,0)
8.20	10.7774	3.9	(1,0,0)
11.61	7.6242	1.1	(1,1,0)
11.61	7.6232	1.1	(1,-1,0)
13.91	6.3645	1.2	(0,0,1)
16.17	5.4813	1.5	(0,1,1)
16.17	5.4803	1.5	(1,0,1)
18.16	4.8859	1.1	(1,1,1)
18.16	4.8856	1.2	(1,-1,1)
23.14	3.8440	47.1	(1,2,1)
23.14	3.8437	32.4	(1,-2,1)
23.15	3.8429	31.7	(2,1,1)
23.15	3.8426	46.6	(2,-1,1)
23.33	3.8121	6.4	(2,2,0)
23.34	3.8116	6.4	(2,-2,0)
28.04	3.1823	9.1	(0,0,2)
29.26	3.0522	41.9	(0,1,2)
29.26	3.0520	42.4	(1,0,2)
29.72	3.0062	91.7	(1,3,1)
29.72	3.0060	78.4	(1,-3,1)
29.73	3.0047	79.5	(3,1,1)
29.73	3.0046	92.9	(3,-1,1)
30.44	2.9367	1.2	(1,1,2)
30.44	2.9367	1.1	(1,-1,2)

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Energy Properties

Formation Energy/atom

-0.90835

eV/atom

Energy/atom

-38.11070

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.1107

eV/atom

Volume/atom

23.12

Å³

c/a Ratio

0.5905

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0041

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.375

Element Family

Lanthanide

Solute Fraction

0.625

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2931

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.7506

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.942%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4827

smaller = more stable mixing

VEC

9.875

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9328

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmha

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295006

Reference Citation

The crystal structure and related material properties of Dy12Ho8(Ir3Rh)3 were obtained from the Materials Project database (MP-ID: mp-3295006, 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_Dy12Ho8(Ir3Rh)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.77744211
_cell_length_b   10.78555934
_cell_length_c   6.36450303
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99256104
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy12Ho8(Ir3Rh)3
_chemical_formula_sum   'Dy12 Ho8 Ir9 Rh3'
_cell_volume   739.81454524
_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  0.29024774  0.08903395  0.38583998  1.0
  Dy  Dy1  1  0.29017620  0.90981502  0.88541585  1.0
  Dy  Dy2  1  0.70982380  0.09018498  0.88541585  1.0
  Dy  Dy3  1  0.70975226  0.91096605  0.38583998  1.0
  Dy  Dy4  1  0.59004722  0.79054324  0.88553776  1.0
  Dy  Dy5  1  0.58885494  0.20941082  0.38587259  1.0
  Dy  Dy6  1  0.41114506  0.79058918  0.38587259  1.0
  Dy  Dy7  1  0.40995278  0.20945676  0.88553776  1.0
  Dy  Dy8  1  0.20827012  0.41104915  0.61264501  1.0
  Dy  Dy9  1  0.20891879  0.58963495  0.11507192  1.0
  Dy  Dy10  1  0.79108121  0.41036505  0.11507192  1.0
  Dy  Dy11  1  0.79172988  0.58895085  0.61264501  1.0
  Ho  Ho12  1  0.91062334  0.70878767  0.11518104  1.0
  Ho  Ho13  1  0.91128974  0.29184588  0.61239731  1.0
  Ho  Ho14  1  0.08871026  0.70815412  0.61239731  1.0
  Ho  Ho15  1  0.08937666  0.29121233  0.11518104  1.0
  Ho  Ho16  1  0.00000000  0.00000000  0.50190479  1.0
  Ho  Ho17  1  0.00000000  0.00000000  0.00146236  1.0
  Ho  Ho18  1  0.50000000  0.50000000  0.99986960  1.0
  Ho  Ho19  1  0.50000000  0.50000000  0.50012854  1.0
  Ir  Ir20  1  0.84641265  0.15271927  0.25082811  1.0
  Ir  Ir21  1  0.84708999  0.84652688  0.75048284  1.0
  Ir  Ir22  1  0.15291001  0.15347312  0.75048284  1.0
  Ir  Ir23  1  0.15358735  0.84728073  0.25082811  1.0
  Ir  Ir24  1  0.65346609  0.34665364  0.74919742  1.0
  Ir  Ir25  1  0.65281121  0.65389957  0.24956598  1.0
  Ir  Ir26  1  0.34718879  0.34610043  0.24956598  1.0
  Ir  Ir27  1  0.34653391  0.65334636  0.74919742  1.0
  Ir  Ir28  1  0.00000000  0.50000000  0.36644847  1.0
  Rh  Rh29  1  0.50000000  0.00000000  0.13248146  1.0
  Rh  Rh30  1  0.50000000  0.00000000  0.63351536  1.0
  Rh  Rh31  1  0.00000000  0.50000000  0.86812281  1.0

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