Dy2Co9P6Ru

高熵材料 HEA

MP-ID: mp-3296191 · Space group: Pmc2_1 (#26)

Materials Project API

Basic Information

Formula

Dy2Co9P6Ru

MP-ID

mp-3296191

Elements

Sites

Density

8.6791

g/cm³

Volume

437.11

Å³

Cell a

3.6557

Cell b

10.2528

Cell c

11.6621

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmc2_1

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
8.62	10.2528	1.8	(0,1,0)
15.19	5.8310	1.1	(0,0,2)
17.30	5.1264	1.5	(0,2,0)
17.50	5.0686	2.9	(0,1,2)
18.91	4.6930	4.1	(0,2,1)
23.10	3.8501	2.7	(0,2,2)
24.49	3.6349	4.8	(0,1,3)
25.87	3.4434	4.9	(1,1,0)
27.00	3.3024	16.7	(1,1,1)
28.82	3.0975	3.5	(0,2,3)
28.82	3.0974	6.4	(1,0,2)
30.31	2.9485	11.5	(0,3,2)
30.67	2.9155	4.2	(0,0,4)
31.91	2.8043	3.5	(0,1,4)
34.81	2.5776	3.1	(1,1,3)
35.87	2.5034	11.8	(0,4,1)
35.97	2.4966	8.3	(1,3,0)
38.08	2.3633	20.6	(1,2,3)
38.36	2.3465	5.4	(0,4,2)
39.26	2.2950	100.0	(1,3,2)
39.54	2.2794	50.6	(1,0,4)
39.63	2.2743	10.4	(0,1,5)
40.54	2.2251	12.9	(1,1,4)
40.68	2.2181	13.8	(0,3,4)

Get direct link

Energy Properties

Formation Energy/atom

-0.80525

eV/atom

Energy/atom

-15.38906

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.3891

eV/atom

Volume/atom

12.14

Å³

c/a Ratio

3.1901

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.8329

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.011060

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.333

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1175

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2908

J/mol·K

Ω Parameter

1.6864

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.971%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2896

smaller = more stable mixing

VEC

7.722

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

7.279

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8061

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoap

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296191

Reference Citation

The crystal structure and related material properties of Dy2Co9P6Ru were obtained from the Materials Project database (MP-ID: mp-3296191, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Dy2Co9P6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65573363
_cell_length_b   10.25277127
_cell_length_c   11.66205496
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Co9P6Ru
_chemical_formula_sum   'Dy4 Co18 P12 Ru2'
_cell_volume   437.11015514
_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  0.25000000  0.58163952  0.70111227  1.0
  Dy  Dy1  1  0.25000000  0.91836048  0.20111227  1.0
  Dy  Dy2  1  0.75000000  0.41383511  0.29634743  1.0
  Dy  Dy3  1  0.75000000  0.08616489  0.79634743  1.0
  Co  Co4  1  0.75000000  0.28648339  0.00935807  1.0
  Co  Co5  1  0.75000000  0.21351661  0.50935807  1.0
  Co  Co6  1  0.25000000  0.40593273  0.48771791  1.0
  Co  Co7  1  0.25000000  0.09406727  0.98771791  1.0
  Co  Co8  1  0.75000000  0.59214231  0.51015336  1.0
  Co  Co9  1  0.75000000  0.90785769  0.01015336  1.0
  Co  Co10  1  0.25000000  0.22022861  0.17547199  1.0
  Co  Co11  1  0.25000000  0.27977139  0.67547199  1.0
  Co  Co12  1  0.75000000  0.77823311  0.82383606  1.0
  Co  Co13  1  0.75000000  0.72176689  0.32383606  1.0
  Co  Co14  1  0.25000000  0.88701614  0.70177171  1.0
  Co  Co15  1  0.25000000  0.61298386  0.20177171  1.0
  Co  Co16  1  0.75000000  0.11561870  0.30183856  1.0
  Co  Co17  1  0.75000000  0.38438130  0.80183856  1.0
  Co  Co18  1  0.25000000  0.46529767  0.93332749  1.0
  Co  Co19  1  0.25000000  0.03470233  0.43332749  1.0
  Co  Co20  1  0.75000000  0.53339509  0.06814361  1.0
  Co  Co21  1  0.75000000  0.96660491  0.56814361  1.0
  P  P22  1  0.25000000  0.41787983  0.11286881  1.0
  P  P23  1  0.25000000  0.08212017  0.61286881  1.0
  P  P24  1  0.75000000  0.57901675  0.88659645  1.0
  P  P25  1  0.75000000  0.92098325  0.38659645  1.0
  P  P26  1  0.25000000  0.27206881  0.86703880  1.0
  P  P27  1  0.25000000  0.22793119  0.36703880  1.0
  P  P28  1  0.75000000  0.72812018  0.13398133  1.0
  P  P29  1  0.75000000  0.77187982  0.63398133  1.0
  P  P30  1  0.25000000  0.59515354  0.39091684  1.0
  P  P31  1  0.25000000  0.90484646  0.89091684  1.0
  P  P32  1  0.75000000  0.39678558  0.60809542  1.0
  P  P33  1  0.75000000  0.10321442  0.10809542  1.0
  Ru  Ru34  1  0.25000000  0.71409196  0.99142390  1.0
  Ru  Ru35  1  0.25000000  0.78590804  0.49142390  1.0

Get direct link