Navigation

HEAS Data Platform · Materials Science Database

AlP

Elasticity Data ELA

MP-ID: mp-8880 · Space group: P6_3mc (#186)

Basic Information

Formula
AlP
MP-ID
mp-8880
Elements
2
Sites
4
Density
2.3480
g/cm³
Volume
81.97
ų
Cell a
3.8635
Å
Cell b
3.8635
Å
Cell c
6.3414
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
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
26.64 3.3459 100.0 (1,0,-1,0)
28.14 3.1707 57.4 (0,0,0,2)
30.20 2.9592 42.3 (1,0,-1,1)
30.20 2.9592 21.2 (1,-1,0,1)
39.14 2.3015 21.9 (1,0,-1,2)
39.14 2.3015 10.9 (1,-1,0,2)
47.04 1.9317 24.9 (1,1,-2,0)
47.04 1.9317 49.9 (2,-1,-1,0)
51.11 1.7871 74.3 (1,0,-1,3)
54.88 1.6729 7.8 (2,0,-2,0)
54.88 1.6729 3.9 (2,-2,0,0)
55.72 1.6497 44.4 (2,-1,-1,2)
56.93 1.6176 3.1 (0,2,-2,1)
56.93 1.6176 6.2 (2,0,-2,1)
62.80 1.4796 2.6 (0,2,-2,2)
62.80 1.4796 5.1 (2,0,-2,2)
71.98 1.3118 17.7 (2,0,-2,3)
71.98 1.3118 8.9 (2,-2,0,3)
75.12 1.2646 3.1 (2,1,-3,0)
75.12 1.2646 3.1 (3,-1,-2,0)
75.12 1.2646 3.1 (3,-2,-1,0)
76.87 1.2402 1.3 (1,2,-3,1)
76.87 1.2402 3.9 (3,-1,-2,1)
76.87 1.2402 2.6 (3,-2,-1,1)
Get direct link

Energy Properties

Formation Energy/atom
-0.73281
eV/atom
Energy/atom
-8.59990
eV/atom
Energy above Hull
0.0044
eV/atom
Uncorrected Energy
-8.5999
eV/atom
Volume/atom
20.49
ų
c/a Ratio
1.6414

Electronic Properties

Metallic
Non-metal
Band Gap
1.960
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
82.620
GPa
GVRH
47.048
GPa
Young's Modulus E
118.627
GPa
Poisson Ratio ν
0.261
Pugh Ratio K/G
1.756
Vickers Hardness Est.
6.848
GPa
Ductility
Brittle
Anisotropy
0.198
Lame λ
51.255
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1980
Homogeneous Poisson ν
0.2610
Debye Temperature
541.2
K
Sound Velocity
4,975.9
m/s
Homogeneity
0.2610

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8880
Reference Citation

The crystal structure and related material properties of AlP were obtained from the Materials Project database (MP-ID: mp-8880, 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_AlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86348275
_cell_length_b   3.86348283
_cell_length_c   6.34144315
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlP
_chemical_formula_sum   'Al2 P2'
_cell_volume   81.97411556
_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
  Al  Al0  1  0.33333300  0.66666700  0.00006900  1.0
  Al  Al1  1  0.66666700  0.33333300  0.50006900  1.0
  P  P2  1  0.33333300  0.66666700  0.37493100  1.0
  P  P3  1  0.66666700  0.33333300  0.87493100  1.0
Get direct link