Dy10(IrRu)3

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3293781 · Space group: Pc (#7)

Materials Project API

Basic Information

Formula

Dy10(IrRu)3

MP-ID

mp-3293781

Elements

Sites

Density

11.2518

g/cm³

Volume

739.34

Å³

Cell a

10.7294

Cell b

10.7229

Cell c

6.4262

α Angle

90.00

β Angle

89.95

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
8.24	10.7294	7.5	(1,0,0)
8.25	10.7229	2.5	(0,1,0)
11.67	7.5846	3.1	(1,1,0)
16.08	5.5121	2.6	(0,1,1)
16.52	5.3647	2.2	(2,0,0)
18.09	4.9045	1.9	(1,1,1)
18.10	4.9014	2.0	(1,1,-1)
21.59	4.1168	1.9	(0,2,1)
23.13	3.8460	18.2	(2,1,1)
23.14	3.8443	18.7	(1,2,1)
23.14	3.8430	18.3	(2,1,-1)
23.15	3.8428	18.7	(1,2,-1)
23.46	3.7923	3.0	(2,2,0)
26.27	3.3927	4.4	(3,1,0)
26.28	3.3911	5.4	(1,3,0)
27.30	3.2669	1.4	(2,2,1)
27.31	3.2651	1.3	(2,2,-1)
27.77	3.2131	4.4	(0,0,2)
29.00	3.0788	14.3	(1,0,2)
29.01	3.0779	38.6	(0,1,2)
29.02	3.0773	24.7	(1,0,-2)
29.77	3.0013	68.7	(3,1,1)
29.79	2.9995	56.7	(1,3,1)
29.79	2.9992	41.9	(3,1,-1)

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Energy Properties

Formation Energy/atom

-0.67560

eV/atom

Energy/atom

-35.24870

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.2487

eV/atom

Volume/atom

23.10

Å³

c/a Ratio

0.5989

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0011

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 · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.593

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.625

Related Tasks

Related computation task IDs (1)

aaahfklx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293781

Reference Citation

The crystal structure and related material properties of Dy10(IrRu)3 were obtained from the Materials Project database (MP-ID: mp-3293781, 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_Dy10(IrRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.72941275
_cell_length_b   10.72294043
_cell_length_c   6.42617689
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.94777144
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy10(IrRu)3
_chemical_formula_sum   'Dy20 Ir6 Ru6'
_cell_volume   739.33683063
_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  0.29390815  0.08669618  0.38441896  1.0
  Dy  Dy1  1  0.29390815  0.91330382  0.88441896  1.0
  Dy  Dy2  1  0.70825544  0.08722025  0.88234820  1.0
  Dy  Dy3  1  0.70825544  0.91277975  0.38234820  1.0
  Dy  Dy4  1  0.58829092  0.79385182  0.88437925  1.0
  Dy  Dy5  1  0.58829092  0.20614818  0.38437925  1.0
  Dy  Dy6  1  0.41345498  0.79447927  0.38398731  1.0
  Dy  Dy7  1  0.41345498  0.20552073  0.88398731  1.0
  Dy  Dy8  1  0.20521673  0.41323969  0.61615603  1.0
  Dy  Dy9  1  0.20521673  0.58676031  0.11615603  1.0
  Dy  Dy10  1  0.79340055  0.41188407  0.11551489  1.0
  Dy  Dy11  1  0.79340055  0.58811593  0.61551489  1.0
  Dy  Dy12  1  0.91255218  0.70667653  0.11694130  1.0
  Dy  Dy13  1  0.91255218  0.29332347  0.61694130  1.0
  Dy  Dy14  1  0.08634701  0.70784753  0.61666366  1.0
  Dy  Dy15  1  0.08634701  0.29215247  0.11666366  1.0
  Dy  Dy16  1  0.99825043  0.00146764  0.49964924  1.0
  Dy  Dy17  1  0.99825043  0.99853236  0.99964924  1.0
  Dy  Dy18  1  0.49925496  0.49992190  0.00012607  1.0
  Dy  Dy19  1  0.49925496  0.50007810  0.50012607  1.0
  Ir  Ir20  1  0.15382331  0.15245043  0.75101274  1.0
  Ir  Ir21  1  0.15382331  0.84754957  0.25101274  1.0
  Ir  Ir22  1  0.65127686  0.34873322  0.74975374  1.0
  Ir  Ir23  1  0.65127686  0.65126678  0.24975374  1.0
  Ir  Ir24  1  0.34741783  0.34731165  0.25033485  1.0
  Ir  Ir25  1  0.34741783  0.65268835  0.75033485  1.0
  Ru  Ru26  1  0.84825775  0.15304696  0.24869053  1.0
  Ru  Ru27  1  0.84825775  0.84695304  0.74869053  1.0
  Ru  Ru28  1  0.50111825  0.00019673  0.13336841  1.0
  Ru  Ru29  1  0.50111825  0.99980327  0.63336841  1.0
  Ru  Ru30  1  0.99917265  0.50069711  0.86665381  1.0
  Ru  Ru31  1  0.99917265  0.49930289  0.36665381  1.0

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