SrDy3

Traditional Materials TRA

MP-ID: mp-978967 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

SrDy3

MP-ID

mp-978967

Elements

Sites

Density

6.8040

g/cm³

Volume

140.36

Å³

Cell a

6.3755

Cell b

6.3755

Cell c

6.3755

α Angle

131.98

β Angle

131.98

γ Angle

70.26

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
17.00	5.2142	1.5	(1,1,-1)
19.11	4.6452	4.6	(1,0,-1)
24.26	3.6687	1.3	(1,-1,0)
29.78	3.0005	100.0	(2,0,-1)
30.97	2.8879	1.4	(2,1,-2)
34.40	2.6071	17.1	(2,2,-2)
34.58	2.5942	33.7	(1,-1,1)
39.80	2.2649	1.5	(2,-1,-1)
49.57	1.8389	24.4	(3,1,-3)
49.70	1.8344	12.1	(2,-2,0)
58.79	1.5707	14.7	(3,3,-4)
59.02	1.5651	29.0	(3,-1,-2)
61.84	1.5002	12.6	(4,0,-2)
72.51	1.3036	2.0	(4,4,-4)
72.93	1.2971	3.9	(2,-2,2)
80.50	1.1931	11.9	(5,1,-4)
80.71	1.1906	5.9	(4,-2,-1)
82.88	1.1648	5.6	(5,3,-5)
83.19	1.1613	5.5	(4,0,-4)
83.29	1.1602	5.5	(3,-3,1)

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Energy Properties

Formation Energy/atom

0.21215

eV/atom

Energy/atom

-27.56062

eV/atom

Energy above Hull

0.2122

eV/atom

Uncorrected Energy

-3.6653

eV/atom

Volume/atom

35.09

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0184

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000130

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

0.500

Family

Binary Alloy

Matrix Element

Dy · 0.750

Related Tasks

Related computation task IDs (5)

aaadokri aaadwagl aaadxvyk aaaesprm aaafbigp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-978967

Reference Citation

The crystal structure and related material properties of SrDy3 were obtained from the Materials Project database (MP-ID: mp-978967, 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_SrDy3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37553551
_cell_length_b   6.37553551
_cell_length_c   6.37553551
_cell_angle_alpha   131.98012611
_cell_angle_beta   131.98012611
_cell_angle_gamma   70.26041735
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrDy3
_chemical_formula_sum   'Sr1 Dy3'
_cell_volume   140.36105727
_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
  Sr  Sr0  1  0.00000000  0.00000000  0.00000000  1.0
  Dy  Dy1  1  0.75000000  0.25000000  0.50000000  1.0
  Dy  Dy2  1  0.25000000  0.75000000  0.50000000  1.0
  Dy  Dy3  1  0.50000000  0.50000000  0.00000000  1.0

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