SnO
Traditional Materials TRAMP-ID: mp-999142 · Space group: P4/nmm (#129)
Basic Information
Formula
SnO
MP-ID
mp-999142
Elements
2
Sites
4
Density
6.8516
g/cm³
Volume
65.30
ų
Cell a
4.6318
Å
Cell b
4.6318
Å
Cell c
3.0436
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 27.23 | 3.2752 | 100.0 | (1,1,0) |
| 29.34 | 3.0436 | 74.5 | (0,0,1) |
| 38.89 | 2.3159 | 69.8 | (2,0,0) |
| 40.46 | 2.2295 | 74.1 | (1,1,1) |
| 49.45 | 1.8430 | 69.4 | (2,0,1) |
| 56.17 | 1.6376 | 23.7 | (2,2,0) |
| 60.87 | 1.5218 | 9.2 | (0,0,2) |
| 63.52 | 1.4647 | 21.7 | (3,1,0) |
| 64.63 | 1.4421 | 31.0 | (2,2,1) |
| 67.92 | 1.3801 | 18.2 | (1,1,2) |
| 71.48 | 1.3198 | 31.8 | (3,1,1) |
| 74.63 | 1.2718 | 20.6 | (2,0,2) |
| 83.48 | 1.1579 | 7.9 | (4,0,0) |
| 87.51 | 1.1148 | 14.3 | (2,2,2) |
| 89.85 | 1.0917 | 4.9 | (3,3,0) |
Energy Properties
Formation Energy/atom
-1.18421
eV/atom
Energy/atom
-5.66297
eV/atom
Energy above Hull
0.4455
eV/atom
Uncorrected Energy
-5.3195
eV/atom
Volume/atom
16.32
ų
c/a Ratio
0.6571
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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
Sn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.509
Family
Binary Alloy
Matrix Element
Sn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999142
Reference Citation
The crystal structure and related material properties of SnO were obtained from the Materials Project database (MP-ID: mp-999142, 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_SnO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63177200
_cell_length_b 4.63177200
_cell_length_c 3.04363500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnO
_chemical_formula_sum 'Sn2 O2'
_cell_volume 65.29605084
_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
Sn Sn0 1 0.50000000 0.50000000 0.00000000 1.0
Sn Sn1 1 0.00000000 0.00000000 0.00000000 1.0
O O2 1 0.50000000 0.00000000 0.01675400 1.0
O O3 1 0.00000000 0.50000000 0.98324600 1.0
