Sr3SbP

弹性数据 ELA

MP-ID: mp-1013588 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Sr3SbP

MP-ID

mp-1013588

Elements

Sites

Density

3.6491

g/cm³

Volume

189.12

Å³

Cell a

5.7400

Cell b

5.7400

Cell c

5.7400

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 15)

2θ	d (Å)	I	hkl
21.90	4.0588	8.6	(1,1,0)
26.90	3.3140	100.0	(1,1,1)
31.16	2.8700	71.1	(2,0,0)
38.41	2.3434	3.6	(2,1,1)
44.65	2.0294	51.6	(2,2,0)
50.27	1.8152	1.6	(3,1,0)
52.90	1.7307	45.7	(3,1,1)
55.45	1.6570	17.9	(2,2,2)
60.34	1.5341	1.8	(3,2,1)
64.99	1.4350	8.3	(4,0,0)
71.67	1.3169	18.4	(3,3,1)
73.83	1.2835	23.0	(4,2,0)
82.29	1.1717	17.4	(4,2,2)
86.44	1.1257	1.0	(4,3,1)
88.51	1.1047	14.6	(5,1,1)

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Energy Properties

Formation Energy/atom

-0.92002

eV/atom

Energy/atom

-3.84437

eV/atom

Energy above Hull

0.1346

eV/atom

Uncorrected Energy

-3.8444

eV/atom

Volume/atom

37.82

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.342

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0013

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

31.726

GPa

G_VRH

22.585

GPa

Young's Modulus E

54.761

GPa

Poisson Ratio ν

0.212

Pugh Ratio K/G

1.405

Vickers Hardness Est.

5.324

GPa

Ductility

Ductile

Anisotropy

1.153

Lame λ

16.669

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.600

Element Family

Alkali-AlkEarth

Solute Fraction

0.400

Interstitial Fraction

0.200

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.1530

Homogeneous Poisson ν

0.2120

Debye Temperature

340.4

Sound Velocity

2,750.2

m/s

Homogeneity

0.2120

Related Tasks

Related computation task IDs (5)

aaadauru aaadoqsa aaadvtgo aaaepami aaafbldj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1013588

Reference Citation

The crystal structure and related material properties of Sr3SbP were obtained from the Materials Project database (MP-ID: mp-1013588, 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_Sr3SbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74000000
_cell_length_b   5.74000000
_cell_length_c   5.74000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3SbP
_chemical_formula_sum   'Sr3 Sb1 P1'
_cell_volume   189.11922400
_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
  Sr  Sr0  1  0.00000000  0.50000000  0.50000000  1.0
  Sr  Sr1  1  0.50000000  0.00000000  0.50000000  1.0
  Sr  Sr2  1  0.50000000  0.50000000  0.00000000  1.0
  Sb  Sb3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.50000000  0.50000000  0.50000000  1.0

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