Navigation

HEAS Data Platform · Materials Science Database

K5Sb4

Traditional Materials TRA

MP-ID: mp-685149 · Space group: P-1 (#2)

Basic Information

Formula
K5Sb4
MP-ID
mp-685149
Elements
2
Sites
9
Density
3.0822
g/cm³
Volume
367.71
ų
Cell a
6.5103
Å
Cell b
10.5735
Å
Cell c
6.8228
Å
α Angle
92.47
°
β Angle
96.03
°
γ Angle
51.96
°
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
10.63 8.3245 13.9 (0,1,0)
13.05 6.7824 21.4 (0,0,1)
13.68 6.4742 45.1 (1,1,0)
16.63 5.3308 100.0 (0,1,1)
17.09 5.1883 11.6 (0,1,-1)
17.32 5.1192 54.7 (1,2,0)
17.38 5.1019 3.5 (1,0,0)
17.92 4.9504 88.3 (1,1,-1)
19.93 4.4549 1.9 (1,1,1)
20.71 4.2880 10.6 (1,0,-1)
21.04 4.2225 1.4 (1,2,-1)
21.35 4.1622 33.1 (0,2,0)
22.44 3.9619 1.2 (1,2,1)
22.83 3.8947 2.9 (1,0,1)
25.40 3.5067 44.7 (1,3,0)
25.42 3.5046 3.6 (0,2,-1)
25.48 3.4956 2.8 (1,-1,0)
26.28 3.3912 5.8 (0,0,2)
27.55 3.2371 2.9 (2,2,0)
27.76 3.2136 68.7 (1,-1,-1)
28.14 3.1714 9.3 (0,1,2)
28.25 3.1587 42.7 (1,3,-1)
28.70 3.1107 43.4 (0,1,-2)
29.06 3.0731 12.3 (1,3,1)
Get direct link

Energy Properties

Formation Energy/atom
-0.52030
eV/atom
Energy/atom
-15.28881
eV/atom
Energy above Hull
0.0556
eV/atom
Uncorrected Energy
-15.2888
eV/atom
Volume/atom
40.86
ų
c/a Ratio
-

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 0.556
Element Family
N/A
Solute Fraction
0.444
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.609
Family
Binary Alloy
Matrix Element
K · 0.556

Related Tasks

Related computation task IDs (3)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-685149
Reference Citation

The crystal structure and related material properties of K5Sb4 were obtained from the Materials Project database (MP-ID: mp-685149, 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_K5Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51031723
_cell_length_b   10.57344872
_cell_length_c   6.82276455
_cell_angle_alpha   92.47130379
_cell_angle_beta   96.03394431
_cell_angle_gamma   51.96179391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5Sb4
_chemical_formula_sum   'K5 Sb4'
_cell_volume   367.71058591
_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
  K  K0  1  0.72390010  0.02265274  0.29445835  1.0
  K  K1  1  0.06455112  0.64324362  0.97665373  1.0
  K  K2  1  0.50195697  0.49727585  0.49929365  1.0
  K  K3  1  0.94133971  0.34802348  0.02139142  1.0
  K  K4  1  0.28104083  0.97043163  0.70213148  1.0
  Sb  Sb5  1  0.84786823  0.66739640  0.47521108  1.0
  Sb  Sb6  1  0.56682507  0.21160486  0.82104044  1.0
  Sb  Sb7  1  0.43811084  0.78061033  0.17578491  1.0
  Sb  Sb8  1  0.15640713  0.32675910  0.52203694  1.0
Get direct link