Sr2Pb
Traditional Materials TRAMP-ID: mp-30828 · Space group: Pnma (#62)
Basic Information
Formula
Sr2Pb
MP-ID
mp-30828
Elements
2
Sites
12
Density
5.3988
g/cm³
Volume
470.52
ų
Cell a
5.4407
Å
Cell b
8.5179
Å
Cell c
10.1528
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.47 | 5.0764 | 3.7 | (0,0,2) |
| 18.50 | 4.7956 | 19.4 | (1,0,1) |
| 20.37 | 4.3607 | 37.1 | (0,1,2) |
| 20.86 | 4.2590 | 24.2 | (0,2,0) |
| 21.26 | 4.1788 | 41.0 | (1,1,1) |
| 26.19 | 3.4027 | 30.4 | (1,1,2) |
| 26.58 | 3.3537 | 12.1 | (1,2,0) |
| 27.33 | 3.2628 | 18.5 | (0,2,2) |
| 28.02 | 3.1844 | 100.0 | (1,2,1) |
| 28.38 | 3.1451 | 8.7 | (0,1,3) |
| 31.12 | 2.8737 | 72.7 | (1,0,3) |
| 31.98 | 2.7982 | 1.7 | (1,2,2) |
| 32.75 | 2.7344 | 9.8 | (0,3,1) |
| 32.89 | 2.7229 | 14.2 | (1,1,3) |
| 32.93 | 2.7204 | 51.0 | (2,0,0) |
| 33.83 | 2.6496 | 4.4 | (0,2,3) |
| 35.36 | 2.5382 | 13.9 | (0,0,4) |
| 36.25 | 2.4780 | 30.5 | (0,3,2) |
| 36.79 | 2.4432 | 28.5 | (1,3,1) |
| 37.51 | 2.3978 | 1.2 | (2,0,2) |
| 37.76 | 2.3821 | 38.8 | (1,2,3) |
| 39.02 | 2.3081 | 15.2 | (2,1,2) |
| 39.30 | 2.2926 | 10.2 | (2,2,0) |
| 40.63 | 2.2207 | 1.1 | (1,1,4) |
Energy Properties
Formation Energy/atom
-0.68915
eV/atom
Energy/atom
-29.54797
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.5480
eV/atom
Volume/atom
39.21
ų
c/a Ratio
1.8661
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.703
Family
Binary Alloy
Matrix Element
Sr · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30828
Reference Citation
The crystal structure and related material properties of Sr2Pb were obtained from the Materials Project database (MP-ID: mp-30828, 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
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Raw CIF Data
# generated using pymatgen
data_Sr2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44072897
_cell_length_b 8.51793654
_cell_length_c 10.15276579
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2Pb
_chemical_formula_sum 'Sr8 Pb4'
_cell_volume 470.51758577
_cell_formula_units_Z 4
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 0.25000000 0.48021664 0.81936374 1.0
Sr Sr1 1 0.75000000 0.51978336 0.18063626 1.0
Sr Sr2 1 0.25000000 0.98021664 0.68063626 1.0
Sr Sr3 1 0.75000000 0.01978336 0.31936374 1.0
Sr Sr4 1 0.75000000 0.15554923 0.92518326 1.0
Sr Sr5 1 0.25000000 0.84445077 0.07481674 1.0
Sr Sr6 1 0.75000000 0.65554923 0.57481674 1.0
Sr Sr7 1 0.25000000 0.34445077 0.42518326 1.0
Pb Pb8 1 0.25000000 0.74821052 0.39588870 1.0
Pb Pb9 1 0.75000000 0.25178948 0.60411130 1.0
Pb Pb10 1 0.25000000 0.24821052 0.10411130 1.0
Pb Pb11 1 0.75000000 0.75178948 0.89588870 1.0
