Sm5Sb3

Traditional Materials TRA

MP-ID: mp-980757 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Sm5Sb3

MP-ID

mp-980757

Elements

Sites

Density

7.8613

g/cm³

Volume

471.92

Å³

Cell a

9.2009

Cell b

9.2024

Cell c

6.4361

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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
11.10	7.9692	7.1	(0,1,-1,0)
11.10	7.9690	7.1	(1,-1,0,0)
11.10	7.9679	7.1	(1,0,-1,0)
22.31	3.9846	8.2	(0,2,-2,0)
22.31	3.9845	8.2	(2,-2,0,0)
22.32	3.9840	8.1	(2,0,-2,0)
27.72	3.2181	59.4	(0,0,0,2)
29.66	3.0122	17.8	(1,-3,2,0)
29.66	3.0122	17.8	(2,-3,1,0)
29.66	3.0119	17.9	(1,2,-3,0)
29.66	3.0118	17.9	(3,-2,-1,0)
29.66	3.0117	17.8	(2,1,-3,0)
29.66	3.0116	17.9	(3,-1,-2,0)
29.95	2.9840	20.9	(0,1,-1,2)
29.95	2.9839	20.9	(1,-1,0,2)
29.95	2.9839	20.9	(1,0,-1,2)
32.83	2.7282	28.1	(1,-3,2,-1)
32.83	2.7282	28.1	(1,-3,2,1)
32.83	2.7282	56.2	(2,-3,1,1)
32.83	2.7280	56.3	(1,2,-3,1)
32.83	2.7279	56.2	(3,-2,-1,1)
32.83	2.7278	28.1	(2,1,-3,-1)
32.83	2.7278	28.1	(2,1,-3,1)
32.83	2.7278	28.1	(3,-1,-2,-1)

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Energy Properties

Formation Energy/atom

-1.12172

eV/atom

Energy/atom

-29.34467

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.3447

eV/atom

Volume/atom

29.50

Å³

c/a Ratio

0.6995

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.3164

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.002790

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sm · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.679

Family

Binary Alloy

Matrix Element

Sm · 0.625

Related Tasks

Related computation task IDs (5)

aaadnnou aaadtgct aaaemngm aaaetpxx aaafxafx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-980757

Reference Citation

The crystal structure and related material properties of Sm5Sb3 were obtained from the Materials Project database (MP-ID: mp-980757, 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_Sm5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.20091517
_cell_length_b   9.20241287
_cell_length_c   6.43611086
_cell_angle_alpha   89.99998890
_cell_angle_beta   90.00001580
_cell_angle_gamma   120.00401047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm5Sb3
_chemical_formula_sum   'Sm10 Sb6'
_cell_volume   471.92103576
_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  0.25009765  0.00013662  0.25000000  1.0
  Sm  Sm1  1  0.74999613  0.00006028  0.75000000  1.0
  Sm  Sm2  1  0.99991840  0.25009991  0.25000000  1.0
  Sm  Sm3  1  0.74996720  0.74990550  0.25000000  1.0
  Sm  Sm4  1  0.25010427  0.25000290  0.75000000  1.0
  Sm  Sm5  1  -0.00005890  0.74983059  0.75000000  1.0
  Sm  Sm6  1  0.33332298  0.66667286  -0.00001411  1.0
  Sm  Sm7  1  0.66667641  0.33332011  0.49999472  1.0
  Sm  Sm8  1  0.66667641  0.33332011  0.00000528  1.0
  Sm  Sm9  1  0.33332298  0.66667286  0.50001411  1.0
  Sb  Sb10  1  0.61430405  -0.00019868  0.25000000  1.0
  Sb  Sb11  1  0.38571771  0.00007999  0.75000000  1.0
  Sb  Sb12  1  0.00003919  0.61464114  0.25000000  1.0
  Sb  Sb13  1  0.38562053  0.38559677  0.25000000  1.0
  Sb  Sb14  1  0.61427368  0.61441629  0.75000000  1.0
  Sb  Sb15  1  0.00001729  0.38544675  0.75000000  1.0

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