Sm5Pb3

传统材料 TRA

MP-ID: mp-1179514 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Sm5Pb3

MP-ID

mp-1179514

Elements

Sites

Density

9.0776

g/cm³

Volume

502.46

Å³

Cell a

9.2268

Cell b

9.2268

Cell c

6.8151

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
11.07	7.9907	20.3	(1,0,-1,0)
11.07	7.9907	10.1	(1,-1,0,0)
19.24	4.6134	3.2	(1,1,-2,0)
19.24	4.6134	3.2	(2,-1,-1,0)
19.24	4.6134	3.2	(1,-2,1,0)
23.28	3.8204	12.5	(1,1,-2,1)
23.28	3.8204	12.5	(2,-1,-1,-1)
23.28	3.8204	12.5	(2,-1,-1,1)
26.15	3.4075	94.9	(0,0,0,2)
28.48	3.1344	11.1	(1,0,-1,-2)
28.48	3.1344	5.5	(0,1,-1,2)
28.48	3.1344	11.1	(1,0,-1,2)
28.48	3.1344	5.5	(1,-1,0,2)
29.58	3.0202	14.4	(2,1,-3,0)
29.58	3.0202	14.4	(1,2,-3,0)
29.58	3.0202	14.4	(3,-1,-2,0)
29.58	3.0202	14.4	(1,-3,2,0)
29.58	3.0202	14.4	(3,-2,-1,0)
29.58	3.0202	14.4	(2,-3,1,0)
32.42	2.7612	31.3	(2,1,-3,-1)
32.42	2.7612	31.3	(1,2,-3,1)
32.42	2.7612	31.3	(2,1,-3,1)
32.42	2.7612	31.3	(1,2,-3,-1)
32.42	2.7612	62.7	(3,-1,-2,-1)

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Energy Properties

Formation Energy/atom

-0.72694

eV/atom

Energy/atom

-40.41694

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.4169

eV/atom

Volume/atom

31.40

Å³

c/a Ratio

0.7386

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0001

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sm · 0.625

Element Family

N/A

Solute Fraction

0.375

Interstitial Fraction

0.000

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)

aaadnmgv aaadtgli aaaeijbt aaaetmmw aaafboue

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1179514

Reference Citation

The crystal structure and related material properties of Sm5Pb3 were obtained from the Materials Project database (MP-ID: mp-1179514, 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_Sm5Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22681541
_cell_length_b   9.22681361
_cell_length_c   6.81506037
_cell_angle_alpha   89.99978947
_cell_angle_beta   90.00021059
_cell_angle_gamma   119.99978806
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm5Pb3
_chemical_formula_sum   'Sm10 Pb6'
_cell_volume   502.46387836
_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  0.66666983  0.33334950  0.50000029  1.0
  Sm  Sm1  1  0.33335066  0.66667019  0.50000018  1.0
  Sm  Sm2  1  0.33333072  0.66665026  0.00000025  1.0
  Sm  Sm3  1  0.66664982  0.33332948  0.00000017  1.0
  Sm  Sm4  1  0.76110004  0.76109819  0.24999731  1.0
  Sm  Sm5  1  0.23889890  0.99999573  0.25000125  1.0
  Sm  Sm6  1  -0.00000725  0.23889557  0.25000122  1.0
  Sm  Sm7  1  0.23890154  0.23889978  0.74999732  1.0
  Sm  Sm8  1  0.76110329  0.00000751  0.75000123  1.0
  Sm  Sm9  1  0.00000406  0.76110254  0.75000123  1.0
  Pb  Pb10  1  0.39382528  0.39381334  0.25000547  1.0
  Pb  Pb11  1  0.60617980  0.00001622  0.24999401  1.0
  Pb  Pb12  1  -0.00000910  0.60616721  0.24999731  1.0
  Pb  Pb13  1  0.60618692  0.60617493  0.75000546  1.0
  Pb  Pb14  1  0.39383250  0.00000879  0.74999730  1.0
  Pb  Pb15  1  -0.00001603  0.39382078  0.74999399  1.0

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