DyLu3

Traditional Materials TRA

MP-ID: mp-1183846 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

DyLu3

MP-ID

mp-1183846

Elements

Sites

Density

9.5554

g/cm³

Volume

238.91

Å³

Cell a

7.0990

Cell b

7.0990

Cell c

5.4741

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 24)

2θ	d (Å)	I	hkl
29.05	3.0740	12.0	(2,-2,0,0)
29.05	3.0740	24.0	(2,0,-2,0)
32.72	2.7370	35.3	(0,0,0,2)
33.43	2.6803	50.0	(2,-2,0,1)
33.43	2.6803	100.0	(2,0,-2,1)
44.31	2.0442	7.7	(2,-2,0,2)
44.31	2.0442	15.4	(2,0,-2,2)
51.49	1.7748	19.9	(4,-2,-2,0)
51.49	1.7748	9.9	(2,2,-4,0)
58.85	1.5691	5.0	(2,-2,0,3)
58.85	1.5691	5.0	(2,-2,0,-3)
58.85	1.5691	20.0	(2,0,-2,3)
60.21	1.5370	1.6	(4,-4,0,0)
60.21	1.5370	3.1	(4,0,-4,0)
62.36	1.4891	22.4	(4,-2,-2,2)
62.36	1.4891	11.2	(2,2,-4,2)
62.80	1.4798	8.2	(4,-4,0,1)
62.80	1.4798	16.5	(4,0,-4,1)
68.57	1.3685	4.2	(0,0,0,4)
70.23	1.3401	2.0	(4,-4,0,2)
70.23	1.3401	3.9	(4,0,-4,2)
76.14	1.2502	1.6	(2,-2,0,4)
76.14	1.2502	3.1	(2,0,-2,4)
81.96	1.1755	2.0	(4,-4,0,3)

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Energy Properties

Formation Energy/atom

0.00134

eV/atom

Energy/atom

-36.55402

eV/atom

Energy above Hull

0.0013

eV/atom

Uncorrected Energy

-36.5540

eV/atom

Volume/atom

29.86

Å³

c/a Ratio

0.7711

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0003

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Lu · 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

Lu · 0.750

Related Tasks

Related computation task IDs (5)

aaadoftc aaadvgbm aaaeijux aaaepzim aaafbgov

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183846

Reference Citation

The crystal structure and related material properties of DyLu3 were obtained from the Materials Project database (MP-ID: mp-1183846, 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_DyLu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09902857
_cell_length_b   7.09902869
_cell_length_c   5.47407562
_cell_angle_alpha   90.00000196
_cell_angle_beta   89.99999745
_cell_angle_gamma   120.00005965
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyLu3
_chemical_formula_sum   'Dy2 Lu6'
_cell_volume   238.91258026
_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  0.33333430  0.66666752  0.75000101  1.0
  Dy  Dy1  1  0.66666801  0.33333353  0.25000099  1.0
  Lu  Lu2  1  0.16608586  0.33217238  0.25000095  1.0
  Lu  Lu3  1  0.66782896  0.83391512  0.25000088  1.0
  Lu  Lu4  1  0.16608635  0.83391438  0.25000098  1.0
  Lu  Lu5  1  0.83391657  0.66783191  0.75000113  1.0
  Lu  Lu6  1  0.33216841  0.16608453  0.75000103  1.0
  Lu  Lu7  1  0.83391555  0.16608462  0.75000104  1.0

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