Sm3Dy

Traditional Materials TRA

MP-ID: mp-979355 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Sm3Dy

MP-ID

mp-979355

Elements

Sites

Density

7.4049

g/cm³

Volume

275.19

Å³

Cell a

7.3553

Cell b

7.3553

Cell c

5.8736

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
28.02	3.1849	11.7	(0,2,-2,0)
28.02	3.1849	23.5	(2,0,-2,0)
30.44	2.9368	37.9	(0,0,0,2)
31.97	2.7998	50.0	(0,2,-2,1)
31.97	2.7998	100.0	(2,0,-2,1)
41.84	2.1590	8.0	(0,2,-2,2)
41.84	2.1590	16.0	(2,0,-2,2)
49.57	1.8388	9.8	(2,2,-4,0)
49.57	1.8388	9.8	(2,-4,2,0)
49.57	1.8388	9.8	(4,-2,-2,0)
55.06	1.6679	10.8	(0,2,-2,3)
55.06	1.6679	21.5	(2,0,-2,3)
57.91	1.5925	1.5	(0,4,-4,0)
57.91	1.5925	1.5	(4,0,-4,0)
57.91	1.5925	1.5	(4,-4,0,0)
59.29	1.5585	17.2	(2,2,-4,2)
59.29	1.5585	5.7	(2,-4,2,2)
59.29	1.5585	11.4	(4,-2,-2,2)
60.21	1.5370	8.2	(0,4,-4,1)
60.21	1.5370	4.1	(4,0,-4,1)
60.21	1.5370	12.3	(4,0,-4,-1)
63.34	1.4684	4.7	(0,0,0,4)
66.83	1.3999	2.0	(0,4,-4,2)
66.83	1.3999	4.0	(4,0,-4,2)

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Energy Properties

Formation Energy/atom

0.01102

eV/atom

Energy/atom

-30.28413

eV/atom

Energy above Hull

0.0110

eV/atom

Uncorrected Energy

-30.2841

eV/atom

Volume/atom

34.40

Å³

c/a Ratio

0.7986

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.7266

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.017180

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sm · 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

0.634

Family

Binary Alloy

Matrix Element

Sm · 0.750

Related Tasks

Related computation task IDs (5)

aaadmhaz aaadumrc aaaekxdr aaaeplih aaafayti

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-979355

Reference Citation

The crystal structure and related material properties of Sm3Dy were obtained from the Materials Project database (MP-ID: mp-979355, 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_Sm3Dy
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35525562
_cell_length_b   7.35525941
_cell_length_c   5.87359017
_cell_angle_alpha   89.99999974
_cell_angle_beta   89.99999904
_cell_angle_gamma   119.99997981
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Dy
_chemical_formula_sum   'Sm6 Dy2'
_cell_volume   275.18840146
_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
  Sm  Sm0  1  0.16847424  0.33694967  0.25000012  1.0
  Sm  Sm1  1  0.66305214  0.83152709  0.25000009  1.0
  Sm  Sm2  1  0.16847425  0.83152667  0.25000013  1.0
  Sm  Sm3  1  0.83152344  0.66304803  0.74999987  1.0
  Sm  Sm4  1  0.33695259  0.16847676  0.74999992  1.0
  Sm  Sm5  1  0.83152386  0.16847605  0.74999987  1.0
  Dy  Dy6  1  0.33333444  0.66666730  0.74999999  1.0
  Dy  Dy7  1  0.66666804  0.33333442  0.25000001  1.0

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