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P

Elasticity Data ELA

MP-ID: mp-118 · Space group: P-1 (#2)

Basic Information

Formula
P
MP-ID
mp-118
Elements
1
Sites
24
Density
1.7899
g/cm³
Volume
689.63
ų
Cell a
5.6711
Å
Cell b
11.1370
Å
Cell c
11.3205
Å
α Angle
93.47
°
β Angle
99.49
°
γ Angle
100.80
°
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
15.95 5.5579 1.3 (0,0,2)
16.17 5.4801 7.5 (1,0,0)
16.70 5.3079 10.1 (1,0,-1)
17.21 5.1514 2.1 (0,1,-2)
17.46 5.0789 4.6 (1,-1,-1)
18.60 4.7715 83.0 (0,1,2)
18.81 4.7174 52.5 (0,2,1)
19.30 4.5985 65.0 (1,0,1)
19.54 4.5433 43.6 (1,1,0)
19.67 4.5138 2.8 (1,1,-1)
20.56 4.3198 99.4 (1,-2,0)
20.62 4.3083 100.0 (1,0,-2)
21.57 4.1203 1.6 (1,-2,-1)
21.74 4.0874 67.5 (0,2,-2)
22.49 3.9529 6.4 (1,1,1)
22.57 3.9387 5.0 (1,-2,1)
24.02 3.7053 36.8 (0,0,3)
24.52 3.6303 51.0 (0,3,0)
24.55 3.6259 31.9 (1,-1,2)
24.78 3.5928 1.1 (1,0,2)
25.11 3.5459 36.5 (1,2,-1)
25.26 3.5255 4.6 (1,2,0)
26.51 3.3626 1.2 (1,0,-3)
26.54 3.3586 1.0 (0,3,1)
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Energy Properties

Formation Energy/atom
0.15639
eV/atom
Energy/atom
-8.84568
eV/atom
Energy above Hull
0.1564
eV/atom
Uncorrected Energy
-8.8457
eV/atom
Volume/atom
28.73
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
3.611
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

KVRH
0.973
GPa
GVRH
0.503
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
0.280
Pugh Ratio K/G
1.934
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.248
Lame λ
0.638
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
0.2480
Homogeneous Poisson ν
0.2800
Homogeneity
0.2800

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-118
Reference Citation

The crystal structure and related material properties of P were obtained from the Materials Project database (MP-ID: mp-118, 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   5.67111429
_cell_length_b   11.13696483
_cell_length_c   11.32047885
_cell_angle_alpha   93.47385247
_cell_angle_beta   99.48549620
_cell_angle_gamma   100.79843358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P24
_cell_volume   689.63262178
_cell_formula_units_Z   24
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  0.07157713  0.00122574  0.18154831  1.0
  P  P1  1  0.92842287  0.99877426  0.81845169  1.0
  P  P2  1  0.83807914  0.94748356  0.31227693  1.0
  P  P3  1  0.16192086  0.05251644  0.68772307  1.0
  P  P4  1  0.00450066  0.14025558  0.30977611  1.0
  P  P5  1  0.99549934  0.85974442  0.69022389  1.0
  P  P6  1  0.23137223  0.01051914  0.37168295  1.0
  P  P7  1  0.76862777  0.98948086  0.62831705  1.0
  P  P8  1  0.77502211  0.37312066  0.05988430  1.0
  P  P9  1  0.22497789  0.62687934  0.94011470  1.0
  P  P10  1  0.59224827  0.18050545  0.03526101  1.0
  P  P11  1  0.40775173  0.81949455  0.96473899  1.0
  P  P12  1  0.50857738  0.30581239  0.17146258  1.0
  P  P13  1  0.49142262  0.69418761  0.82853742  1.0
  P  P14  1  0.38778894  0.32149375  0.98095889  1.0
  P  P15  1  0.61221106  0.67850625  0.01904111  1.0
  P  P16  1  0.30275423  0.68711479  0.46727782  1.0
  P  P17  1  0.69724577  0.31288521  0.53272218  1.0
  P  P18  1  0.93218137  0.62702299  0.36596661  1.0
  P  P19  1  0.06781863  0.37297701  0.63403339  1.0
  P  P20  1  0.19949160  0.51028171  0.35890233  1.0
  P  P21  1  0.80050840  0.48971829  0.64109767  1.0
  P  P22  1  0.23553832  0.68051995  0.27137823  1.0
  P  P23  1  0.76446168  0.31948005  0.72862177  1.0
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