Sr2Pb3

Traditional Materials TRA

MP-ID: mp-669913 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Sr2Pb3

MP-ID

mp-669913

Elements

Sites

Density

7.5899

g/cm³

Volume

348.67

Å³

Cell a

8.3495

Cell b

8.3495

Cell c

5.0014

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

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 24)

2θ	d (Å)	I	hkl
17.73	5.0014	44.2	(0,0,1)
21.28	4.1748	2.2	(2,0,0)
23.31	3.8162	1.2	(1,1,1)
23.83	3.7340	13.0	(2,1,0)
27.84	3.2050	27.1	(2,0,1)
29.86	2.9921	100.0	(2,1,1)
30.28	2.9520	9.2	(2,2,0)
33.95	2.6403	49.6	(3,1,0)
35.31	2.5422	4.0	(2,2,1)
35.91	2.5007	26.8	(0,0,2)
38.56	2.3349	32.2	(3,1,1)
38.89	2.3157	11.3	(3,2,0)
43.04	2.1014	13.3	(3,2,1)
43.35	2.0874	3.6	(4,0,0)
43.56	2.0778	5.8	(2,1,2)
44.75	2.0251	1.3	(4,1,0)
46.12	1.9680	1.7	(3,3,0)
47.18	1.9263	1.6	(4,0,1)
47.66	1.9081	5.4	(2,2,2)
48.50	1.8770	4.3	(4,1,1)
48.78	1.8670	4.9	(4,2,0)
49.79	1.8313	1.4	(3,3,1)
50.25	1.8156	33.4	(3,1,2)
52.30	1.7491	4.3	(4,2,1)

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Energy Properties

Formation Energy/atom

-0.58267

eV/atom

Energy/atom

-40.41201

eV/atom

Energy above Hull

0.0077

eV/atom

Uncorrected Energy

-40.4120

eV/atom

Volume/atom

34.87

Å³

c/a Ratio

0.5990

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0004

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

Pb · 0.600

Element Family

N/A

Solute Fraction

0.400

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.747

Family

Binary Alloy

Matrix Element

Pb · 0.600

Related Tasks

Related computation task IDs (5)

aaadnakj aaadsuye aaaemnwq aaaerpgs aaafddxl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-669913

Reference Citation

The crystal structure and related material properties of Sr2Pb3 were obtained from the Materials Project database (MP-ID: mp-669913, 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_Sr2Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34950374
_cell_length_b   8.34950374
_cell_length_c   5.00141525
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Pb3
_chemical_formula_sum   'Sr4 Pb6'
_cell_volume   348.66972656
_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
  Sr  Sr0  1  0.67292886  0.17292886  0.00000000  1.0
  Sr  Sr1  1  0.17292886  0.32707114  0.00000000  1.0
  Sr  Sr2  1  0.82707114  0.67292886  0.00000000  1.0
  Sr  Sr3  1  0.32707114  0.82707114  -0.00000000  1.0
  Pb  Pb4  1  0.12867900  0.62867900  0.50000000  1.0
  Pb  Pb5  1  0.87132100  0.37132100  0.50000000  1.0
  Pb  Pb6  1  0.62867900  0.87132100  0.50000000  1.0
  Pb  Pb7  1  0.00000000  0.00000000  0.50000000  1.0
  Pb  Pb8  1  0.37132100  0.12867900  0.50000000  1.0
  Pb  Pb9  1  0.50000000  0.50000000  0.50000000  1.0

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