P
Elasticity Data ELAMP-ID: mp-674158 · Space group: Fm-3m (#225)
Basic Information
Formula
P
MP-ID
mp-674158
Elements
1
Sites
1
Density
0.4240
g/cm³
Volume
121.30
ų
Cell a
5.5564
Å
Cell b
5.5564
Å
Cell c
5.5564
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.57 | 4.5368 | 100.0 | (1,0,0) |
| 22.63 | 3.9290 | 51.0 | (1,1,0) |
| 32.22 | 2.7782 | 37.3 | (2,1,1) |
| 37.98 | 2.3693 | 26.5 | (2,2,1) |
| 37.98 | 2.3693 | 18.9 | (2,0,1) |
| 39.74 | 2.2684 | 9.9 | (2,0,0) |
| 39.74 | 2.2684 | 3.3 | (0,2,0) |
| 46.21 | 1.9645 | 6.2 | (2,2,0) |
| 50.64 | 1.8027 | 6.2 | (1,1,3) |
| 50.64 | 1.8027 | 12.3 | (2,0,-1) |
| 52.05 | 1.7571 | 2.8 | (2,1,3) |
| 52.05 | 1.7571 | 14.1 | (2,1,-1) |
| 57.45 | 1.6040 | 7.3 | (3,1,0) |
| 57.45 | 1.6040 | 5.2 | (3,0,1) |
| 61.30 | 1.5123 | 1.7 | (0,0,3) |
| 61.30 | 1.5123 | 11.0 | (3,3,1) |
| 67.42 | 1.3891 | 1.9 | (4,2,2) |
| 67.42 | 1.3891 | 1.3 | (0,2,-2) |
| 70.96 | 1.3282 | 4.4 | (4,3,2) |
| 70.96 | 1.3282 | 7.8 | (3,1,-1) |
| 70.96 | 1.3282 | 1.1 | (2,-2,1) |
| 72.12 | 1.3097 | 5.9 | (4,1,1) |
| 72.12 | 1.3097 | 2.1 | (3,-1,0) |
| 76.70 | 1.2425 | 4.5 | (4,3,1) |
Energy Properties
Formation Energy/atom
3.51777
eV/atom
Energy/atom
-5.48430
eV/atom
Energy above Hull
3.5178
eV/atom
Uncorrected Energy
-1.8955
eV/atom
Volume/atom
121.30
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
2.003
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.024730
μB/ų
Elastic Properties
KVRH
0.108
GPa
GVRH
0.027
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
0.384
Pugh Ratio K/G
4.000
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
1.521
Lame λ
0.090
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
1.5210
Homogeneous Poisson ν
0.3840
Homogeneity
0.3840
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-674158
Reference Citation
The crystal structure and related material properties of P were obtained from the Materials Project database (MP-ID: mp-674158, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55640509
_cell_length_b 5.55640472
_cell_length_c 5.55640533
_cell_angle_alpha 59.99999646
_cell_angle_beta 59.99999860
_cell_angle_gamma 59.99999345
_symmetry_Int_Tables_number 1
_chemical_formula_structural P
_chemical_formula_sum P1
_cell_volume 121.30163530
_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
P P0 1 -0.00000000 0.00000000 0.00000000 1.0
