Sr3Sb2

传统材料 TRA

MP-ID: mp-1013583 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Sr3Sb2

MP-ID

mp-1013583

Elements

Sites

Density

3.6504

g/cm³

Volume

230.35

Å³

Cell a

6.1300

Cell b

6.1300

Cell c

6.1300

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 24)

2θ	d (Å)	I	hkl
14.45	6.1300	16.3	(1,0,0)
20.49	4.3346	44.1	(1,1,0)
25.16	3.5392	52.9	(1,1,1)
29.14	3.0650	100.0	(2,0,0)
32.67	2.7414	9.0	(2,1,0)
35.88	2.5026	21.0	(2,1,1)
41.67	2.1673	75.0	(2,2,0)
44.33	2.0433	4.7	(3,0,0)
46.87	1.9385	9.8	(3,1,0)
49.30	1.8483	24.9	(3,1,1)
51.65	1.7696	26.4	(2,2,2)
53.93	1.7002	2.1	(3,2,0)
56.14	1.6383	11.3	(3,2,1)
60.40	1.5325	12.3	(4,0,0)
62.47	1.4867	2.7	(4,1,0)
64.49	1.4449	5.5	(4,1,1)
66.48	1.4063	10.1	(3,3,1)
68.45	1.3707	33.8	(4,2,0)
70.38	1.3377	1.9	(4,2,1)
72.30	1.3069	2.6	(3,3,2)
76.06	1.2513	25.1	(4,2,2)
79.77	1.2022	6.0	(5,1,0)
81.61	1.1797	7.7	(5,1,1)
85.26	1.1383	1.7	(5,2,0)

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Energy Properties

Formation Energy/atom

-0.68911

eV/atom

Energy/atom

-3.35617

eV/atom

Energy above Hull

0.3777

eV/atom

Uncorrected Energy

-3.2794

eV/atom

Volume/atom

46.07

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.600

Element Family

N/A

Solute Fraction

0.400

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.467

Family

Binary Alloy

Matrix Element

Sr · 0.600

Related Tasks

Related computation task IDs (5)

aaadoexb aaadvtnp aaadwzly aaaepdgl aaafbauw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1013583

Reference Citation

The crystal structure and related material properties of Sr3Sb2 were obtained from the Materials Project database (MP-ID: mp-1013583, 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…

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Raw CIF Data

# generated using pymatgen
data_Sr3Sb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13000000
_cell_length_b   6.13000000
_cell_length_c   6.13000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Sb2
_chemical_formula_sum   'Sr3 Sb2'
_cell_volume   230.34639700
_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
  Sb  Sb4  1  0.50000000  0.50000000  0.50000000  1.0

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