Pb2O3
Traditional Materials TRAMP-ID: mp-655547 · Space group: C2/m (#12)
Basic Information
Formula
Pb2O3
MP-ID
mp-655547
Elements
2
Sites
10
Density
9.2842
g/cm³
Volume
165.41
ų
Cell a
5.4207
Å
Cell b
5.4207
Å
Cell c
5.7361
Å
α Angle
89.20
°
β Angle
89.20
°
γ Angle
101.01
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
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 |
|---|---|---|---|
| 26.37 | 3.3795 | 100.0 | (1,-1,1) |
| 29.95 | 2.9834 | 41.7 | (1,1,1) |
| 30.55 | 2.9259 | 40.6 | (1,1,-1) |
| 31.19 | 2.8673 | 30.3 | (0,0,2) |
| 33.69 | 2.6601 | 44.7 | (2,0,0) |
| 43.26 | 2.0915 | 18.4 | (2,-2,0) |
| 46.15 | 1.9669 | 28.1 | (2,0,2) |
| 46.99 | 1.9338 | 26.6 | (2,0,-2) |
| 52.64 | 1.7386 | 17.7 | (1,-1,3) |
| 53.14 | 1.7234 | 10.0 | (2,2,0) |
| 53.51 | 1.7126 | 16.9 | (3,-1,1) |
| 53.88 | 1.7015 | 16.9 | (3,-1,-1) |
| 54.29 | 1.6898 | 13.6 | (2,-2,2) |
| 54.37 | 1.6875 | 7.4 | (1,1,3) |
| 55.48 | 1.6563 | 6.9 | (1,1,-3) |
| 59.93 | 1.5434 | 11.2 | (3,1,1) |
| 60.63 | 1.5273 | 10.4 | (3,1,-1) |
| 62.24 | 1.4917 | 4.6 | (2,2,2) |
| 63.60 | 1.4630 | 4.3 | (2,2,-2) |
| 65.06 | 1.4337 | 4.8 | (0,0,4) |
| 69.36 | 1.3549 | 7.2 | (3,-3,1) |
| 70.85 | 1.3300 | 8.4 | (4,0,0) |
| 71.89 | 1.3134 | 6.7 | (3,-1,3) |
| 72.84 | 1.2985 | 6.3 | (3,-1,-3) |
Energy Properties
Formation Energy/atom
-1.19340
eV/atom
Energy/atom
-5.64723
eV/atom
Energy above Hull
0.2094
eV/atom
Uncorrected Energy
-5.2350
eV/atom
Volume/atom
16.54
ų
c/a Ratio
1.0582
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
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
O · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.527
Family
Binary Alloy
Matrix Element
O · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-655547
Reference Citation
The crystal structure and related material properties of Pb2O3 were obtained from the Materials Project database (MP-ID: mp-655547, 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_Pb2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42069918
_cell_length_b 5.42069918
_cell_length_c 5.73608209
_cell_angle_alpha 89.19718788
_cell_angle_beta 89.19718788
_cell_angle_gamma 101.01051114
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pb2O3
_chemical_formula_sum 'Pb4 O6'
_cell_volume 165.40614560
_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
Pb Pb0 1 0.00000000 0.50000000 0.00000000 1.0
Pb Pb1 1 0.00000000 0.00000000 0.50000000 1.0
Pb Pb2 1 0.50000000 0.50000000 0.50000000 1.0
Pb Pb3 1 0.50000000 0.00000000 0.00000000 1.0
O O4 1 0.24960600 0.24960600 0.10894100 1.0
O O5 1 0.25256300 0.76017700 0.74512200 1.0
O O6 1 0.74743700 0.23982300 0.25487800 1.0
O O7 1 0.75039400 0.75039400 0.89105900 1.0
O O8 1 0.23982300 0.74743700 0.25487800 1.0
O O9 1 0.76017700 0.25256300 0.74512200 1.0
