Dy3Y

Traditional Materials TRA

MP-ID: mp-979924 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Dy3Y

MP-ID

mp-979924

Elements

Sites

Density

7.4955

g/cm³

Volume

127.70

Å³

Cell a

6.1700

Cell b

6.1700

Cell c

6.1700

α Angle

131.85

β Angle

131.85

γ Angle

70.46

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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 20)

2θ	d (Å)	I	hkl
17.60	5.0399	1.3	(1,1,-1)
19.71	4.5033	4.1	(1,0,-1)
25.02	3.5593	1.2	(1,-1,0)
30.75	2.9074	100.0	(2,0,-1)
32.03	2.7946	1.3	(2,1,-2)
35.63	2.5199	16.9	(2,2,-2)
35.67	2.5168	33.6	(1,-1,1)
41.08	2.1970	1.4	(2,-1,-1)
51.31	1.7808	23.9	(3,1,-3)
51.34	1.7797	11.9	(2,-2,0)
60.99	1.5192	14.2	(3,3,-4)
61.05	1.5179	28.3	(3,-1,-2)
64.05	1.4537	12.2	(4,0,-2)
75.45	1.2600	1.9	(4,4,-4)
75.56	1.2584	3.8	(2,-2,2)
83.70	1.1555	11.7	(5,1,-4)
83.76	1.1549	5.8	(4,-2,-1)
86.35	1.1267	5.5	(5,3,-5)
86.43	1.1258	5.5	(4,0,-4)
86.46	1.1256	5.5	(3,-3,1)

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Energy Properties

Formation Energy/atom

0.05489

eV/atom

Energy/atom

-29.00987

eV/atom

Energy above Hull

0.0550

eV/atom

Uncorrected Energy

-29.0099

eV/atom

Volume/atom

31.92

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

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

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

0.685

Family

Binary Alloy

Matrix Element

Dy · 0.750

Related Tasks

Related computation task IDs (5)

aaadomax aaadwdlx aaaekwyh aaaesujb aaafbiaq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-979924

Reference Citation

The crystal structure and related material properties of Dy3Y were obtained from the Materials Project database (MP-ID: mp-979924, 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_Dy3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17000857
_cell_length_b   6.17000857
_cell_length_c   6.17000857
_cell_angle_alpha   131.85285601
_cell_angle_beta   131.85285601
_cell_angle_gamma   70.46152434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Y
_chemical_formula_sum   'Dy3 Y1'
_cell_volume   127.69654409
_cell_formula_units_Z   1
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  0.75000000  0.25000000  0.50000000  1.0
  Dy  Dy1  1  0.25000000  0.75000000  0.50000000  1.0
  Dy  Dy2  1  0.50000000  0.50000000  0.00000000  1.0
  Y  Y3  1  0.00000000  -0.00000000  0.00000000  1.0

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