Sb
Traditional Materials TRAMP-ID: mp-632286 · Space group: P2_1/m (#11)
Basic Information
Formula
Sb
MP-ID
mp-632286
Elements
1
Sites
2
Density
6.6767
g/cm³
Volume
60.57
ų
Cell a
4.3438
Å
Cell b
3.1646
Å
Cell c
4.4077
Å
α Angle
88.34
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 28.21 | 3.1633 | 49.6 | (0,1,0) |
| 28.86 | 3.0932 | 100.0 | (1,0,1) |
| 34.42 | 2.6056 | 3.9 | (0,1,1) |
| 35.09 | 2.5571 | 4.3 | (1,1,0) |
| 35.41 | 2.5351 | 1.0 | (0,1,-1) |
| 40.37 | 2.2344 | 35.5 | (1,1,1) |
| 40.97 | 2.2029 | 18.8 | (0,0,2) |
| 41.23 | 2.1895 | 36.8 | (1,1,-1) |
| 41.58 | 2.1719 | 18.6 | (2,0,0) |
| 49.75 | 1.8328 | 8.9 | (0,1,2) |
| 51.01 | 1.7905 | 18.8 | (2,1,0) |
| 51.21 | 1.7837 | 9.9 | (0,1,-2) |
| 54.33 | 1.6887 | 3.1 | (1,1,2) |
| 55.04 | 1.6683 | 2.0 | (2,1,1) |
| 58.34 | 1.5817 | 4.9 | (0,2,0) |
| 59.80 | 1.5466 | 12.1 | (2,0,2) |
| 61.74 | 1.5025 | 2.0 | (0,2,1) |
| 62.49 | 1.4862 | 2.9 | (1,2,0) |
| 63.02 | 1.4751 | 1.0 | (0,2,-1) |
| 65.76 | 1.4200 | 6.1 | (1,2,1) |
| 66.79 | 1.4007 | 7.3 | (2,1,2) |
| 67.00 | 1.3968 | 7.1 | (1,2,-1) |
| 67.30 | 1.3913 | 8.1 | (1,0,3) |
| 68.01 | 1.3784 | 8.3 | (2,1,-2) |
Energy Properties
Formation Energy/atom
0.05889
eV/atom
Energy/atom
-25.64743
eV/atom
Energy above Hull
0.0589
eV/atom
Uncorrected Energy
-4.0701
eV/atom
Volume/atom
30.28
ų
c/a Ratio
1.0147
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sb · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.534
Family
Pure Metal
Matrix Element
Sb · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-632286
Reference Citation
The crystal structure and related material properties of Sb were obtained from the Materials Project database (MP-ID: mp-632286, 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_Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34376400
_cell_length_b 3.16464100
_cell_length_c 4.40773884
_cell_angle_alpha 88.34043171
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sb
_chemical_formula_sum Sb2
_cell_volume 60.56536267
_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
Sb Sb0 1 0.75000000 0.04335200 0.76353500 1.0
Sb Sb1 1 0.25000000 0.95664800 0.23646500 1.0
