Sb4O9

Traditional Materials TRA

MP-ID: mp-1041270 · Space group: P2/m (#10)

Materials Project API

Basic Information

Formula

Sb4O9

MP-ID

mp-1041270

Elements

Sites

Density

5.4189

g/cm³

Volume

386.74

Å³

Cell a

3.8878

Cell b

9.9085

Cell c

10.0397

α Angle

89.65

β Angle

90.00

γ Angle

90.00

Space Group

P2/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

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
12.51	7.0736	10.2	(0,1,1)
12.59	7.0309	11.4	(0,1,-1)
17.67	5.0197	18.8	(0,0,2)
17.90	4.9542	14.3	(0,2,0)
22.87	3.8878	100.0	(1,0,0)
25.18	3.5368	21.8	(0,2,2)
25.34	3.5155	11.7	(0,2,-2)
26.16	3.4071	2.2	(1,1,1)
26.19	3.4023	2.7	(1,1,-1)
28.09	3.1764	39.6	(0,1,3)
28.20	3.1647	20.7	(0,1,-3)
28.40	3.1430	14.2	(0,3,1)
28.50	3.1317	45.0	(0,3,-1)
29.05	3.0737	7.7	(1,0,2)
29.20	3.0585	5.6	(1,2,0)
30.48	2.9326	1.0	(1,1,-2)
34.28	2.6162	9.4	(1,2,2)
34.39	2.6075	4.0	(1,2,-2)
36.53	2.4598	21.4	(1,1,3)
36.61	2.4544	11.3	(1,1,-3)
36.77	2.4442	7.4	(1,3,1)
36.85	2.4389	25.2	(1,3,-1)
40.38	2.2335	23.4	(0,2,-4)
40.51	2.2267	23.6	(0,4,2)

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Energy Properties

Formation Energy/atom

-1.56421

eV/atom

Energy/atom

-6.26018

eV/atom

Energy above Hull

0.2258

eV/atom

Uncorrected Energy

-5.7846

eV/atom

Volume/atom

14.87

Å³

c/a Ratio

2.5824

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0011

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.692

Element Family

N/A

Solute Fraction

0.308

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.568

Family

Binary Alloy

Matrix Element

O · 0.692

Related Tasks

Related computation task IDs (2)

aaachgjg aaaeawhn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1041270

Reference Citation

The crystal structure and related material properties of Sb4O9 were obtained from the Materials Project database (MP-ID: mp-1041270, 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_Sb4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88778600
_cell_length_b   9.90848400
_cell_length_c   10.03966664
_cell_angle_alpha   89.65344964
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb4O9
_chemical_formula_sum   'Sb8 O18'
_cell_volume   386.74162047
_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
  Sb  Sb0  1  0.50000000  0.47207700  0.83806200  1.0
  Sb  Sb1  1  0.50000000  0.16022700  0.98942100  1.0
  Sb  Sb2  1  0.50000000  0.66498000  0.47326900  1.0
  Sb  Sb3  1  0.50000000  0.96377500  0.34286100  1.0
  Sb  Sb4  1  0.50000000  0.03622500  0.65713900  1.0
  Sb  Sb5  1  0.50000000  0.83977300  0.01057900  1.0
  Sb  Sb6  1  0.50000000  0.52792300  0.16193800  1.0
  Sb  Sb7  1  0.50000000  0.33502000  0.52673100  1.0
  O  O8  1  0.50000000  0.24400000  0.71195400  1.0
  O  O9  1  0.50000000  0.75600000  0.28804600  1.0
  O  O10  1  0.00000000  0.32760900  0.50491300  1.0
  O  O11  1  0.00000000  0.53464600  0.18045200  1.0
  O  O12  1  0.00000000  0.98997100  0.32781300  1.0
  O  O13  1  0.00000000  0.17596100  0.97025100  1.0
  O  O14  1  0.00000000  0.67239100  0.49508700  1.0
  O  O15  1  0.00000000  0.46535400  0.81954800  1.0
  O  O16  1  0.00000000  0.01002900  0.67218700  1.0
  O  O17  1  0.00000000  0.82403900  0.02974900  1.0
  O  O18  1  0.50000000  0.98083700  0.86353700  1.0
  O  O19  1  0.50000000  0.87332900  0.53066400  1.0
  O  O20  1  0.50000000  0.62960900  0.96954100  1.0
  O  O21  1  0.50000000  0.52248300  0.62957100  1.0
  O  O22  1  0.50000000  0.47751700  0.37042900  1.0
  O  O23  1  0.50000000  0.12667100  0.46933600  1.0
  O  O24  1  0.50000000  0.37039100  0.03045900  1.0
  O  O25  1  0.50000000  0.01916300  0.13646300  1.0

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