NdDy3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-974325 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

NdDy3

MP-ID

mp-974325

Elements

Sites

Density

7.8172

g/cm³

Volume

268.39

Å³

Cell a

7.2919

Cell b

7.2919

Cell c

5.8285

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
28.26	3.1575	23.5	(2,-2,0,0)
28.26	3.1575	11.7	(2,0,-2,0)
30.68	2.9143	38.0	(0,0,0,2)
32.24	2.7763	100.0	(2,-2,0,1)
32.24	2.7763	50.0	(2,0,-2,1)
42.20	2.1415	24.0	(2,0,-2,2)
50.03	1.8230	9.8	(2,-4,2,0)
50.03	1.8230	9.8	(2,2,-4,0)
50.03	1.8230	9.8	(4,-2,-2,0)
55.54	1.6547	32.2	(2,0,-2,3)
58.46	1.5787	3.1	(4,-4,0,0)
58.46	1.5787	1.5	(4,0,-4,0)
59.84	1.5455	11.4	(2,-4,2,2)
59.84	1.5455	22.8	(4,-2,-2,2)
60.78	1.5238	16.3	(4,-4,0,1)
60.78	1.5238	8.2	(4,0,-4,1)
63.88	1.4571	4.7	(0,0,0,4)
67.47	1.3881	2.0	(0,4,-4,2)
67.47	1.3881	2.0	(4,-4,0,2)
67.47	1.3881	2.0	(4,0,-4,2)
71.28	1.3230	3.4	(2,-2,0,4)
71.28	1.3230	1.7	(2,0,-2,4)
77.98	1.2252	7.9	(4,-4,0,3)
77.98	1.2252	4.0	(4,0,-4,3)

Get direct link

Energy Properties

Formation Energy/atom

0.00507

eV/atom

Energy/atom

-31.33578

eV/atom

Energy above Hull

0.0051

eV/atom

Uncorrected Energy

-31.3358

eV/atom

Volume/atom

33.55

Å³

c/a Ratio

0.7993

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.7981

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.017880

μB/Å³

Elastic Properties

K_VRH

38.234

GPa

G_VRH

22.519

GPa

Young's Modulus E

56.470

GPa

Poisson Ratio ν

0.254

Pugh Ratio K/G

1.698

Vickers Hardness Est.

3.657

GPa

Ductility

Ductile

Anisotropy

0.030

Lame λ

23.221

GPa

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

0.718

Family

Binary Alloy

Matrix Element

Dy · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0300

Homogeneous Poisson ν

0.2540

Debye Temperature

284.6

Sound Velocity

1,885.1

m/s

Homogeneity

0.2540

Related Tasks

Related computation task IDs (4)

aaadmhhz aaadvggy aaaekwzz aaaepkwn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-974325

Reference Citation

The crystal structure and related material properties of NdDy3 were obtained from the Materials Project database (MP-ID: mp-974325, 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_NdDy3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29185185
_cell_length_b   7.29185469
_cell_length_c   5.82853347
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdDy3
_chemical_formula_sum   'Nd2 Dy6'
_cell_volume   268.38963289
_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
  Nd  Nd0  1  0.66666064  0.33333153  0.25000000  1.0
  Nd  Nd1  1  0.33332718  0.66666645  0.75000000  1.0
  Dy  Dy2  1  0.83536132  0.16464441  0.75000000  1.0
  Dy  Dy3  1  0.32928128  0.16463953  0.75000000  1.0
  Dy  Dy4  1  0.83536277  0.67071691  0.75000000  1.0
  Dy  Dy5  1  0.16463365  0.83537299  0.25000000  1.0
  Dy  Dy6  1  0.67073716  0.83536689  0.25000000  1.0
  Dy  Dy7  1  0.16463601  0.32926230  0.25000000  1.0

Get direct link