Sr3(AlP2)2

弹性数据 ELA

MP-ID: mp-9843 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Sr3(AlP2)2

MP-ID

mp-9843

Elements

Sites

Density

3.2591

g/cm³

Volume

449.10

Å³

Cell a

6.6832

Cell b

8.3366

Cell c

8.3366

α Angle

75.27

β Angle

89.03

γ Angle

89.03

Space Group

C2/c

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
13.41	6.6006	1.8	(0,1,1)
17.13	5.1778	16.7	(1,1,0)
17.35	5.1117	1.5	(1,0,-1)
21.95	4.0492	15.1	(1,1,-1)
22.01	4.0392	21.3	(0,2,1)
25.54	3.4872	61.6	(1,2,1)
25.96	3.4317	100.0	(1,0,-2)
26.00	3.4270	1.3	(1,-1,-2)
26.68	3.3409	33.4	(2,0,0)
27.02	3.3003	25.6	(0,2,2)
27.13	3.2867	22.8	(0,2,-1)
28.79	3.1007	53.8	(2,1,0)
29.07	3.0722	15.7	(2,0,-1)
30.24	2.9555	25.8	(1,2,-1)
30.24	2.9554	43.7	(2,-1,-1)
30.37	2.9430	4.2	(1,1,-2)
32.05	2.7930	3.8	(2,1,-1)
32.33	2.7692	3.9	(0,3,1)
33.34	2.6873	18.6	(0,3,0)
34.50	2.5996	3.2	(2,2,1)
34.65	2.5889	1.1	(2,2,0)
34.85	2.5746	2.5	(1,3,1)
35.11	2.5559	2.1	(2,0,-2)
35.11	2.5557	54.2	(0,3,2)

Get direct link

Energy Properties

Formation Energy/atom

-1.16318

eV/atom

Energy/atom

-11.70868

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.7087

eV/atom

Volume/atom

24.95

Å³

c/a Ratio

1.2474

Electronic Properties

Metallic

Non-metal

Band Gap

1.337

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

51.236

GPa

G_VRH

29.669

GPa

Young's Modulus E

74.606

GPa

Poisson Ratio ν

0.257

Pugh Ratio K/G

1.727

Vickers Hardness Est.

4.669

GPa

Ductility

Ductile

Anisotropy

0.659

Lame λ

31.457

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

P · 0.444

Element Family

Metalloid-Nonmetal

Solute Fraction

0.556

Interstitial Fraction

0.444

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.6590

Homogeneous Poisson ν

0.2570

Debye Temperature

462.1

Sound Velocity

3,352.6

m/s

Homogeneity

0.2570

Related Tasks

Related computation task IDs (6)

aaadjoln aaadnkxy aaadtfpf aaaelncm aaaetmra aaafbtim

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9843

Reference Citation

The crystal structure and related material properties of Sr3(AlP2)2 were obtained from the Materials Project database (MP-ID: mp-9843, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Sr3(AlP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68322625
_cell_length_b   8.33664027
_cell_length_c   8.33664020
_cell_angle_alpha   75.26538640
_cell_angle_beta   89.02841824
_cell_angle_gamma   89.02841797
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3(AlP2)2
_chemical_formula_sum   'Sr6 Al4 P8'
_cell_volume   449.10356802
_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
  Sr  Sr0  1  0.54369523  0.00793702  0.74694967  1.0
  Sr  Sr1  1  0.95630477  0.25305033  0.99206298  1.0
  Sr  Sr2  1  0.45630477  0.99206298  0.25305033  1.0
  Sr  Sr3  1  0.04369523  0.74694967  0.00793702  1.0
  Sr  Sr4  1  0.25000000  0.40160541  0.59839459  1.0
  Sr  Sr5  1  0.75000000  0.59839459  0.40160541  1.0
  Al  Al6  1  0.41948720  0.41804500  0.17180338  1.0
  Al  Al7  1  0.08051280  0.82819662  0.58195500  1.0
  Al  Al8  1  0.58051280  0.58195500  0.82819662  1.0
  Al  Al9  1  0.91948720  0.17180338  0.41804500  1.0
  P  P10  1  0.47594598  0.29664269  0.94118283  1.0
  P  P11  1  0.02405402  0.05881817  0.70335731  1.0
  P  P12  1  0.92097045  0.58229640  0.73980894  1.0
  P  P13  1  0.57902955  0.26019106  0.41770360  1.0
  P  P14  1  0.07902955  0.41770360  0.26019106  1.0
  P  P15  1  0.42097045  0.73980894  0.58229640  1.0
  P  P16  1  0.97594598  0.94118283  0.29664269  1.0
  P  P17  1  0.52405402  0.70335731  0.05881817  1.0

Get direct link