Dy3Lu

Traditional Materials TRA

MP-ID: mp-1184174 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Dy3Lu

MP-ID

mp-1184174

Elements

Sites

Density

8.8113

g/cm³

Volume

249.69

Å³

Cell a

7.2076

Cell b

7.2076

Cell c

5.5500

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

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 20)

2θ	d (Å)	I	hkl
28.60	3.1210	24.0	(2,0,-2,0)
32.26	2.7750	23.5	(0,0,0,2)
32.93	2.7204	100.0	(2,0,-2,1)
43.65	2.0738	15.4	(2,0,-2,2)
50.66	1.8019	13.3	(4,-2,-2,0)
50.66	1.8019	6.7	(2,2,-4,0)
57.95	1.5914	20.1	(2,0,-2,3)
59.21	1.5605	1.0	(4,-4,0,0)
59.21	1.5605	2.1	(4,0,-4,0)
61.34	1.5113	15.0	(4,-2,-2,2)
61.34	1.5113	7.5	(2,2,-4,2)
61.75	1.5022	16.5	(4,0,-4,1)
67.51	1.3875	2.8	(0,0,0,4)
69.05	1.3602	1.3	(4,-4,0,2)
69.05	1.3602	2.6	(4,0,-4,2)
74.90	1.2679	3.1	(2,0,-2,4)
80.53	1.1928	7.8	(4,0,-4,3)
81.62	1.1796	2.5	(6,-2,-4,0)
83.85	1.1538	14.2	(6,-2,-4,1)
89.06	1.0993	8.4	(4,-2,-2,4)

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Energy Properties

Formation Energy/atom

0.00187

eV/atom

Energy/atom

-33.50445

eV/atom

Energy above Hull

0.0019

eV/atom

Uncorrected Energy

-33.5045

eV/atom

Volume/atom

31.21

Å³

c/a Ratio

0.7700

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0055

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.640

Family

Binary Alloy

Matrix Element

Dy · 0.750

Related Tasks

Related computation task IDs (2)

aaadupzi aaaemnpq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184174

Reference Citation

The crystal structure and related material properties of Dy3Lu were obtained from the Materials Project database (MP-ID: mp-1184174, 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_Dy3Lu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20758270
_cell_length_b   7.20758270
_cell_length_c   5.54998905
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Lu
_chemical_formula_sum   'Dy6 Lu2'
_cell_volume   249.69049750
_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  0.83227490  0.16772510  0.75000000  1.0
  Dy  Dy1  1  0.33544920  0.16772510  0.75000000  1.0
  Dy  Dy2  1  0.83227490  0.66455080  0.75000000  1.0
  Dy  Dy3  1  0.16772510  0.83227490  0.25000000  1.0
  Dy  Dy4  1  0.66455080  0.83227490  0.25000000  1.0
  Dy  Dy5  1  0.16772510  0.33544920  0.25000000  1.0
  Lu  Lu6  1  0.66666700  0.33333300  0.25000000  1.0
  Lu  Lu7  1  0.33333300  0.66666700  0.75000000  1.0

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