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HEAS Data Platform · Materials Science Database

K2P3

Elasticity Data ELA

MP-ID: mp-8262 · Space group: Fmmm (#69)

Basic Information

Formula
K2P3
MP-ID
mp-8262
Elements
2
Sites
10
Density
1.9816
g/cm³
Volume
286.78
ų
Cell a
6.3533
Å
Cell b
6.3533
Å
Cell c
8.3263
Å
α Angle
110.46
°
β Angle
110.46
°
γ Angle
94.81
°
Space Group
Fmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic F
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.41 7.1301 11.9 (0,0,1)
15.31 5.7863 24.8 (1,0,-1)
18.97 4.6771 1.5 (1,-1,0)
20.66 4.2998 3.3 (1,1,-1)
22.74 3.9108 6.0 (1,-1,1)
23.40 3.8012 4.1 (0,1,-2)
23.40 3.8012 12.2 (1,0,-2)
24.17 3.6821 4.7 (1,1,-2)
24.17 3.6821 4.7 (1,1,0)
24.98 3.5651 4.1 (0,0,2)
28.19 3.1654 2.4 (2,0,-1)
30.91 2.8931 100.0 (2,0,-2)
31.15 2.8713 14.0 (2,-1,0)
31.55 2.8353 23.9 (1,-1,2)
31.55 2.8353 23.9 (1,-1,-2)
33.29 2.6915 1.7 (2,1,-2)
37.89 2.3743 3.0 (2,1,-3)
37.89 2.3743 3.0 (2,1,0)
38.50 2.3386 24.0 (2,-2,0)
42.03 2.1499 15.2 (2,2,-2)
42.67 2.1188 1.2 (1,-1,3)
43.51 2.0801 30.2 (1,1,-4)
44.08 2.0544 1.1 (3,-1,-1)
45.97 1.9741 1.5 (3,-1,-2)
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Energy Properties

Formation Energy/atom
-0.54995
eV/atom
Energy/atom
-8.35850
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-8.3585
eV/atom
Volume/atom
28.68
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.715
eV
Direct Gap
Yes
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
16.206
GPa
GVRH
9.501
GPa
Young's Modulus E
23.843
GPa
Poisson Ratio ν
0.255
Pugh Ratio K/G
1.706
Vickers Hardness Est.
0.997
GPa
Ductility
Ductile
Anisotropy
0.253
Lame λ
9.872
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
P · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.600

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2530
Homogeneous Poisson ν
0.2550
Debye Temperature
289.9
K
Sound Velocity
2,432.3
m/s
Homogeneity
0.2550

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8262
Reference Citation

The crystal structure and related material properties of K2P3 were obtained from the Materials Project database (MP-ID: mp-8262, 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_K2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35325063
_cell_length_b   6.35325010
_cell_length_c   8.32627457
_cell_angle_alpha   110.45708299
_cell_angle_beta   110.45707490
_cell_angle_gamma   94.81327009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2P3
_chemical_formula_sum   'K4 P6'
_cell_volume   286.78307599
_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
  K  K0  1  0.75000000  0.25000000  0.50000000  1.0
  K  K1  1  0.25000000  0.75000000  0.50000000  1.0
  K  K2  1  0.72718067  0.27281933  -0.00000000  1.0
  K  K3  1  0.27281933  0.72718067  0.00000000  1.0
  P  P4  1  0.70845004  0.70845004  0.84919460  1.0
  P  P5  1  0.85925544  0.85925544  0.15080540  1.0
  P  P6  1  0.29154996  0.29154996  0.15080540  1.0
  P  P7  1  0.14074456  0.14074456  0.84919460  1.0
  P  P8  1  0.84849592  0.84849592  0.69699285  1.0
  P  P9  1  0.15150408  0.15150408  0.30300715  1.0
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