Dy9Er(RuRh)2

高熵材料 HEA

MP-ID: mp-3292988 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

Dy9Er(RuRh)2

MP-ID

mp-3292988

Elements

Sites

Density

9.4565

g/cm³

Volume

357.82

Å³

Cell a

6.3725

Cell b

7.1717

Cell c

8.5082

α Angle

96.53

β Angle

111.99

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
11.30	7.8295	1.8	(0,0,1)
15.01	5.9024	2.8	(1,0,0)
19.98	4.4436	16.1	(1,1,0)
25.02	3.5588	2.9	(0,2,0)
26.21	3.4007	1.0	(0,2,-1)
26.39	3.3773	7.5	(1,1,1)
28.00	3.1862	4.7	(2,0,-1)
28.69	3.1119	39.7	(1,2,-1)
28.80	3.0998	18.5	(0,2,1)
29.91	2.9872	13.0	(1,2,0)
30.29	2.9512	4.3	(2,0,0)
30.74	2.9081	74.2	(2,1,-1)
31.84	2.8107	100.0	(1,0,2)
31.84	2.8104	38.2	(0,2,-2)
31.90	2.8051	44.4	(1,2,-2)
32.30	2.7719	34.7	(2,1,-2)
32.95	2.7184	24.9	(1,-1,2)
33.40	2.6826	19.4	(2,1,0)
33.40	2.6826	19.4	(2,-1,-2)
34.36	2.6098	14.8	(0,0,3)
35.16	2.5525	42.0	(1,2,1)
35.61	2.5212	21.0	(1,1,2)
35.61	2.5212	21.0	(1,-1,-3)
36.13	2.4860	33.6	(0,2,2)

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Energy Properties

Formation Energy/atom

-0.52225

eV/atom

Energy/atom

-30.58533

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.5853

eV/atom

Volume/atom

25.56

Å³

c/a Ratio

1.3351

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0008

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.643

Element Family

Lanthanide

Solute Fraction

0.357

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0285

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5511

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.343%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4604

smaller = more stable mixing

VEC

9.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7419

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjhk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292988

Reference Citation

The crystal structure and related material properties of Dy9Er(RuRh)2 were obtained from the Materials Project database (MP-ID: mp-3292988, 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_Dy9Er(RuRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37247007
_cell_length_b   7.17166170
_cell_length_c   8.50815517
_cell_angle_alpha   96.52860543
_cell_angle_beta   111.99291023
_cell_angle_gamma   89.99999792
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy9Er(RuRh)2
_chemical_formula_sum   'Dy9 Er1 Ru2 Rh2'
_cell_volume   357.81676891
_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  0.79270142  0.58439005  0.81146343  1.0
  Dy  Dy1  1  0.98123798  0.91560995  0.18853657  1.0
  Dy  Dy2  1  0.20851355  0.41239928  0.18521277  1.0
  Dy  Dy3  1  0.02330078  0.08760072  0.81478723  1.0
  Dy  Dy4  1  0.21313167  0.68440486  0.56654889  1.0
  Dy  Dy5  1  0.64658178  0.81559514  0.43345111  1.0
  Dy  Dy6  1  0.78652081  0.31257801  0.43580047  1.0
  Dy  Dy7  1  0.35072034  0.18742199  0.56419953  1.0
  Dy  Dy8  1  0.42315145  0.75000000  1.00000000  1.0
  Er  Er9  1  0.57433654  0.25000000  0.00000000  1.0
  Ru  Ru10  1  0.39550244  0.07236973  0.21998962  1.0
  Ru  Ru11  1  0.17551383  0.42763027  0.78001038  1.0
  Rh  Rh12  1  0.60412218  0.92737638  0.77945695  1.0
  Rh  Rh13  1  0.82466523  0.57262362  0.22054305  1.0

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