Dy3Co

Traditional Materials TRA

MP-ID: mp-646392 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Dy3Co

MP-ID

mp-646392

Elements

Sites

Density

9.0158

g/cm³

Volume

402.57

Å³

Cell a

6.2169

Cell b

6.8572

Cell c

9.4431

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
21.47	4.1397	1.1	(1,1,1)
27.05	3.2970	17.0	(1,1,2)
27.68	3.2228	18.2	(0,2,1)
28.72	3.1085	14.3	(2,0,0)
29.76	3.0023	19.4	(1,2,0)
31.26	2.8612	40.0	(1,2,1)
31.60	2.8312	40.5	(2,1,0)
31.87	2.8083	100.0	(1,0,3)
32.27	2.7743	43.7	(0,2,2)
33.03	2.7119	60.3	(2,1,1)
34.51	2.5988	36.7	(1,1,3)
34.55	2.5963	12.5	(2,0,2)
35.43	2.5335	57.7	(1,2,2)
37.02	2.4281	12.1	(2,1,2)
38.12	2.3608	5.9	(0,0,4)
38.84	2.3187	20.6	(0,2,3)
39.12	2.3029	3.5	(2,2,0)
40.31	2.2373	14.2	(2,2,1)
41.57	2.1725	1.9	(1,2,3)
42.12	2.1453	16.6	(1,3,0)
42.97	2.1050	2.2	(2,1,3)
43.06	2.1009	2.2	(1,1,4)
43.25	2.0920	10.5	(1,3,1)
43.73	2.0698	4.7	(2,2,2)

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Energy Properties

Formation Energy/atom

-0.14248

eV/atom

Energy/atom

-5.38961

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.3818

eV/atom

Volume/atom

25.16

Å³

c/a Ratio

1.5189

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

0.721

Family

Binary Alloy

Matrix Element

Dy · 0.750

Related Tasks

Related computation task IDs (5)

aaadnmrx aaadrgeg aaaemrzr aaaetpka aaafcfrg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-646392

Reference Citation

The crystal structure and related material properties of Dy3Co were obtained from the Materials Project database (MP-ID: mp-646392, 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_Dy3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21691021
_cell_length_b   6.85723736
_cell_length_c   9.44313551
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Co
_chemical_formula_sum   'Dy12 Co4'
_cell_volume   402.56869473
_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  0.14154852  0.45364727  0.75000000  1.0
  Dy  Dy1  1  0.67957059  0.32794671  0.93094468  1.0
  Dy  Dy2  1  0.35845148  0.95364727  0.75000000  1.0
  Dy  Dy3  1  0.85845148  0.54635273  0.25000000  1.0
  Dy  Dy4  1  0.64154852  0.04635273  0.25000000  1.0
  Dy  Dy5  1  0.17957059  0.17205329  0.43094468  1.0
  Dy  Dy6  1  0.82042941  0.82794671  0.56905532  1.0
  Dy  Dy7  1  0.17957059  0.17205329  0.06905532  1.0
  Dy  Dy8  1  0.82042941  0.82794671  0.93094468  1.0
  Dy  Dy9  1  0.67957059  0.32794671  0.56905532  1.0
  Dy  Dy10  1  0.32042941  0.67205329  0.06905532  1.0
  Dy  Dy11  1  0.32042941  0.67205329  0.43094468  1.0
  Co  Co12  1  0.54145968  0.61101262  0.75000000  1.0
  Co  Co13  1  0.95854032  0.11101262  0.75000000  1.0
  Co  Co14  1  0.04145968  0.88898738  0.25000000  1.0
  Co  Co15  1  0.45854032  0.38898738  0.25000000  1.0

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