DyRu2

Traditional Materials TRA

MP-ID: mp-1101878 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

DyRu2

MP-ID

mp-1101878

Elements

Sites

Density

11.2617

g/cm³

Volume

215.06

Å³

Cell a

5.2609

Cell b

5.2609

Cell c

8.9653

α Angle

90.00

β Angle

90.00

γ Angle

119.92

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
27.91	3.1966	2.9	(1,0,-1,2)
27.93	3.1947	1.5	(1,-1,0,2)
34.04	2.6337	22.3	(1,1,-2,0)
34.08	2.6304	44.5	(2,-1,-1,0)
35.93	2.4995	96.6	(1,0,-1,3)
35.94	2.4985	48.2	(1,-1,0,3)
39.53	2.2799	12.9	(2,0,-2,0)
39.58	2.2771	6.4	(2,-2,0,0)
39.69	2.2708	50.1	(1,1,-2,2)
39.73	2.2687	100.0	(2,-1,-1,2)
40.24	2.2413	19.6	(0,0,0,4)
40.84	2.2096	75.6	(2,0,-2,1)
40.89	2.2070	37.7	(2,-2,0,1)
44.59	2.0322	9.0	(2,0,-2,2)
44.63	2.0302	4.5	(2,-2,0,2)
45.07	2.0115	10.2	(1,0,-1,4)
45.08	2.0110	5.1	(1,-1,0,4)
55.03	1.6687	4.8	(1,0,-1,5)
55.04	1.6684	2.4	(1,-1,0,5)
57.25	1.6091	1.1	(2,1,-3,2)
57.30	1.6079	1.1	(3,-1,-2,2)
57.33	1.6072	1.1	(3,-2,-1,2)
60.96	1.5199	8.3	(3,0,-3,0)
61.04	1.5181	4.1	(3,-3,0,0)

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Energy Properties

Formation Energy/atom

-0.32264

eV/atom

Energy/atom

-8.04503

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-8.0450

eV/atom

Volume/atom

17.92

Å³

c/a Ratio

1.7041

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0022

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ru · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.623

Family

Binary Alloy

Matrix Element

Ru · 0.667

Related Tasks

Related computation task IDs (2)

aaaezjdq aaaezmiw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1101878

Reference Citation

The crystal structure and related material properties of DyRu2 were obtained from the Materials Project database (MP-ID: mp-1101878, 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

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Raw CIF Data

# generated using pymatgen
data_DyRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26089021
_cell_length_b   5.26089021
_cell_length_c   8.96529300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.91882240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyRu2
_chemical_formula_sum   'Dy4 Ru8'
_cell_volume   215.06427221
_cell_formula_units_Z   4
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  0.66672900  0.33327100  0.56664400  1.0
  Dy  Dy1  1  0.33327100  0.66672900  0.43335600  1.0
  Dy  Dy2  1  0.33327100  0.66672900  0.06664400  1.0
  Dy  Dy3  1  0.66672900  0.33327100  0.93335600  1.0
  Ru  Ru4  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru5  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru6  1  0.17127000  0.34227500  0.75000000  1.0
  Ru  Ru7  1  0.17100200  0.82899800  0.75000000  1.0
  Ru  Ru8  1  0.65772500  0.82873000  0.75000000  1.0
  Ru  Ru9  1  0.82873000  0.65772500  0.25000000  1.0
  Ru  Ru10  1  0.82899800  0.17100200  0.25000000  1.0
  Ru  Ru11  1  0.34227500  0.17127000  0.25000000  1.0

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