Basic Information
Formula
SiOs
MP-ID
mp-10015
Elements
2
Sites
2
Density
14.2979
g/cm³
Volume
25.35
ų
Cell a
2.9378
Å
Cell b
2.9378
Å
Cell c
2.9378
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.43 | 2.9378 | 70.6 | (1,0,0) |
| 43.57 | 2.0773 | 100.0 | (1,1,0) |
| 54.07 | 1.6961 | 19.6 | (1,1,1) |
| 63.31 | 1.4689 | 16.6 | (2,0,0) |
| 71.86 | 1.3138 | 25.4 | (2,1,0) |
| 80.00 | 1.1994 | 34.7 | (2,1,1) |
Energy Properties
Formation Energy/atom
-0.36535
eV/atom
Energy/atom
-31.24485
eV/atom
Energy above Hull
0.0271
eV/atom
Uncorrected Energy
-31.2448
eV/atom
Volume/atom
12.68
ų
c/a Ratio
1.0000
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
KVRH
290.957
GPa
GVRH
121.446
GPa
Young's Modulus E
319.838
GPa
Poisson Ratio ν
0.317
Pugh Ratio K/G
2.396
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
1.380
Lame λ
209.993
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.606
Family
Binary Alloy
Matrix Element
Si · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10015
Reference Citation
The crystal structure and related material properties of SiOs were obtained from the Materials Project database (MP-ID: mp-10015, 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_SiOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.93778900
_cell_length_b 2.93778900
_cell_length_c 2.93778900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiOs
_chemical_formula_sum 'Si1 Os1'
_cell_volume 25.35489411
_cell_formula_units_Z 1
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
Si Si0 1 0.50000000 0.50000000 0.50000000 1.0
Os Os1 1 0.00000000 0.00000000 0.00000000 1.0
