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Sb

Traditional Materials TRA

MP-ID: mp-1104795 · Space group: P-1 (#2)

Basic Information

Formula
Sb
MP-ID
mp-1104795
Elements
1
Sites
14
Density
5.9339
g/cm³
Volume
477.02
ų
Cell a
9.0686
Å
Cell b
10.7705
Å
Cell c
6.5398
Å
α Angle
82.37
°
β Angle
109.19
°
γ Angle
58.62
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
10.39 8.5165 3.8 (0,1,0)
12.96 6.8329 47.9 (1,0,0)
15.05 5.8856 34.3 (0,1,1)
16.61 5.3358 34.0 (1,2,0)
16.93 5.2372 4.0 (1,1,-1)
19.23 4.6149 14.6 (1,-1,-1)
20.57 4.3186 67.3 (1,1,1)
20.79 4.2735 24.2 (0,2,1)
20.86 4.2583 1.1 (0,2,0)
21.01 4.2285 55.6 (1,-1,0)
21.39 4.1546 4.6 (2,2,0)
21.40 4.1517 4.6 (2,1,0)
21.55 4.1245 2.0 (1,2,1)
21.74 4.0887 10.2 (0,1,-1)
23.22 3.8315 5.7 (2,0,-1)
23.97 3.7121 37.1 (1,2,-1)
25.72 3.4640 3.1 (1,3,0)
26.04 3.4214 9.3 (2,3,0)
26.97 3.3055 3.6 (1,3,1)
27.28 3.2692 2.5 (1,-2,-1)
27.57 3.2354 19.6 (1,0,-2)
28.09 3.1768 17.7 (1,-1,-2)
28.94 3.0852 30.9 (0,1,2)
29.02 3.0766 7.8 (2,2,1)
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Energy Properties

Formation Energy/atom
0.33373
eV/atom
Energy/atom
-25.37259
eV/atom
Energy above Hull
0.3337
eV/atom
Uncorrected Energy
-3.7953
eV/atom
Volume/atom
34.07
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0026
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
0.373
Family
Pure Metal
Matrix Element
Sb · 1.000

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1104795
Reference Citation

The crystal structure and related material properties of Sb were obtained from the Materials Project database (MP-ID: mp-1104795, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06856344
_cell_length_b   10.77047941
_cell_length_c   6.53978782
_cell_angle_alpha   82.36951713
_cell_angle_beta   109.18769973
_cell_angle_gamma   58.61696099
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb
_chemical_formula_sum   Sb14
_cell_volume   477.02435127
_cell_formula_units_Z   14
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  0.00000000  0.00000000  0.00000000  1.0
  Sb  Sb1  1  0.50000000  0.50000000  0.00000000  1.0
  Sb  Sb2  1  0.00000000  0.50000000  0.50000000  1.0
  Sb  Sb3  1  0.50000000  0.00000000  0.50000000  1.0
  Sb  Sb4  1  0.28406700  0.54215600  0.36373300  1.0
  Sb  Sb5  1  0.71593300  0.45784400  0.63626700  1.0
  Sb  Sb6  1  0.91473800  0.77522600  0.91733000  1.0
  Sb  Sb7  1  0.08526200  0.22477400  0.08267000  1.0
  Sb  Sb8  1  0.84719600  0.16996600  0.32030500  1.0
  Sb  Sb9  1  0.15280400  0.83003400  0.67969500  1.0
  Sb  Sb10  1  0.65299100  0.67719900  0.88053400  1.0
  Sb  Sb11  1  0.34700900  0.32280100  0.11946600  1.0
  Sb  Sb12  1  0.83188800  0.83580400  0.36304600  1.0
  Sb  Sb13  1  0.16811200  0.16419600  0.63695300  1.0
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