DyZn3

Traditional Materials TRA

MP-ID: mp-30626 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

DyZn3

MP-ID

mp-30626

Elements

Sites

Density

8.3202

g/cm³

Volume

286.38

Å³

Cell a

4.3395

Cell b

6.6112

Cell c

9.9821

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
22.32	3.9834	8.8	(0,1,2)
22.34	3.9797	8.6	(1,0,1)
26.14	3.4096	10.8	(1,1,1)
26.97	3.3056	13.0	(0,2,0)
30.07	2.9722	3.1	(0,1,3)
30.46	2.9345	4.2	(1,1,2)
34.10	2.6296	3.7	(1,2,0)
35.30	2.5428	87.8	(1,2,1)
35.99	2.4955	17.9	(0,0,4)
36.65	2.4522	100.0	(1,1,3)
38.56	2.3347	22.8	(0,1,4)
38.70	2.3264	6.2	(1,2,2)
41.62	2.1698	41.9	(2,0,0)
41.99	2.1519	7.9	(0,3,1)
43.88	2.0631	20.8	(1,2,3)
44.04	2.0561	2.5	(1,1,4)
44.97	2.0160	20.4	(0,3,2)
47.14	1.9279	3.4	(1,3,1)
47.58	1.9112	1.9	(0,1,5)
47.73	1.9054	2.5	(2,1,2)
49.62	1.8373	2.1	(0,3,3)
49.88	1.8283	1.1	(1,3,2)
50.30	1.8139	4.8	(2,2,0)
50.41	1.8101	3.2	(1,2,4)

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Energy Properties

Formation Energy/atom

-0.40267

eV/atom

Energy/atom

-15.08107

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.0811

eV/atom

Volume/atom

17.90

Å³

c/a Ratio

2.3003

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

Zn · 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

0.806

Family

Zn-based Alloy

Matrix Element

Zn · 0.750

Related Tasks

Related computation task IDs (5)

aaadnflk aaadrfpw aaaemnrv aaaeuczc aaafxaii

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30626

Reference Citation

The crystal structure and related material properties of DyZn3 were obtained from the Materials Project database (MP-ID: mp-30626, 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_DyZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33949190
_cell_length_b   6.61114827
_cell_length_c   9.98213940
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyZn3
_chemical_formula_sum   'Dy4 Zn12'
_cell_volume   286.37784049
_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  0.25000000  0.77732412  0.15980209  1.0
  Dy  Dy1  1  0.75000000  0.22267588  0.84019791  1.0
  Dy  Dy2  1  0.25000000  0.27732412  0.34019791  1.0
  Dy  Dy3  1  0.75000000  0.72267588  0.65980209  1.0
  Zn  Zn4  1  0.25000000  0.03722876  0.60714453  1.0
  Zn  Zn5  1  0.75000000  0.96277124  0.39285547  1.0
  Zn  Zn6  1  0.25000000  0.53722876  0.89285547  1.0
  Zn  Zn7  1  0.75000000  0.46277124  0.10714453  1.0
  Zn  Zn8  1  0.75000000  0.77642834  0.95462055  1.0
  Zn  Zn9  1  0.25000000  0.22357166  0.04537945  1.0
  Zn  Zn10  1  0.75000000  0.27642834  0.54537945  1.0
  Zn  Zn11  1  0.25000000  0.72357166  0.45462055  1.0
  Zn  Zn12  1  0.75000000  0.08139331  0.14503535  1.0
  Zn  Zn13  1  0.25000000  0.91860669  0.85496465  1.0
  Zn  Zn14  1  0.75000000  0.58139331  0.35496465  1.0
  Zn  Zn15  1  0.25000000  0.41860669  0.64503535  1.0

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