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P

Elasticity Data ELA

MP-ID: mp-157 · Space group: Cmce (#64)

Basic Information

Formula
P
MP-ID
mp-157
Elements
1
Sites
4
Density
2.5141
g/cm³
Volume
81.83
ų
Cell a
3.2955
Å
Cell b
4.5436
Å
Cell c
5.7080
Å
α Angle
90.00
°
β Angle
106.78
°
γ Angle
90.00
°
Space Group
Cmce
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
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
16.22 5.4650 52.4 (0,0,1)
25.49 3.4938 61.1 (0,1,1)
32.77 2.7325 33.3 (0,0,2)
34.61 2.5916 100.0 (1,1,-1)
38.44 2.3417 9.3 (0,1,2)
39.67 2.2718 6.5 (0,2,0)
41.98 2.1524 4.4 (1,1,-2)
43.12 2.0978 1.3 (0,2,1)
49.44 1.8436 17.5 (1,2,-1)
50.07 1.8217 12.9 (0,0,3)
52.37 1.7469 3.0 (0,2,2)
54.25 1.6908 1.5 (0,1,3)
54.25 1.6908 17.9 (1,1,-3)
54.25 1.6908 17.9 (1,1,2)
55.20 1.6640 18.3 (1,2,-2)
55.20 1.6640 18.3 (1,2,1)
55.79 1.6477 11.6 (2,0,-1)
58.51 1.5776 2.6 (2,0,-2)
62.30 1.4903 4.0 (2,1,-2)
62.30 1.4903 4.0 (2,1,0)
63.77 1.4595 13.3 (0,3,1)
65.70 1.4212 2.2 (0,2,3)
66.23 1.4111 3.8 (2,0,-3)
66.23 1.4111 3.8 (2,0,1)
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Energy Properties

Formation Energy/atom
0.02021
eV/atom
Energy/atom
-8.98186
eV/atom
Energy above Hull
0.0202
eV/atom
Uncorrected Energy
-8.9819
eV/atom
Volume/atom
20.46
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.115
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
20.688
GPa
GVRH
12.609
GPa
Young's Modulus E
31.440
GPa
Poisson Ratio ν
0.247
Pugh Ratio K/G
1.641
Vickers Hardness Est.
1.936
GPa
Ductility
Ductile
Anisotropy
66.417
Lame λ
12.282
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
P · 1.000
Element Family
Metalloid-Nonmetal
Solute Fraction
0.000
Interstitial Fraction
1.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
66.4170
Homogeneous Poisson ν
0.2470
Debye Temperature
270.5
K
Sound Velocity
2,485.3
m/s
Homogeneity
0.2470

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-157
Reference Citation

The crystal structure and related material properties of P were obtained from the Materials Project database (MP-ID: mp-157, 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_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29548625
_cell_length_b   4.54363559
_cell_length_c   5.70803788
_cell_angle_alpha   90.00000000
_cell_angle_beta   106.77839303
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P4
_cell_volume   81.83068010
_cell_formula_units_Z   4
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
  P  P0  1  0.40414313  0.91118483  0.80828826  1.0
  P  P1  1  0.59585687  0.08881517  0.19171174  1.0
  P  P2  1  0.09585687  0.41118483  0.19171174  1.0
  P  P3  1  0.90414313  0.58881517  0.80828826  1.0
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