Cr(SbO3)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-756024 · Space group: P4_2/mnm (#136)

Materials Project API

Basic Information

Formula

Cr(SbO3)2

MP-ID

mp-756024

Elements

Sites

Density

5.9430

g/cm³

Volume

437.57

Å³

Cell a

4.7660

Cell b

19.1789

Cell c

4.7871

α Angle

90.00

β Angle

90.03

γ Angle

90.00

Space Group

P4_2/mnm

Point Group

4/mmm

Crystal System

Tetragonal

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
18.50	4.7947	10.4	(0,4,0)
20.74	4.2831	7.8	(0,2,1)
20.74	4.2831	7.8	(0,2,-1)
20.81	4.2680	7.7	(1,2,0)
20.81	4.2679	7.7	(1,-2,0)
26.38	3.3784	100.0	(1,0,-1)
26.40	3.3766	99.8	(1,0,1)
32.42	2.7617	2.8	(1,-4,-1)
32.42	2.7617	2.8	(1,4,-1)
32.43	2.7608	2.8	(1,4,1)
32.43	2.7607	2.8	(1,-4,1)
33.72	2.6583	36.5	(0,6,1)
33.72	2.6583	36.5	(0,6,-1)
33.76	2.6547	37.6	(1,6,0)
33.76	2.6547	37.6	(1,-6,0)
37.52	2.3974	1.8	(0,8,0)
37.58	2.3935	20.5	(0,0,2)
37.75	2.3830	19.2	(2,0,0)
38.78	2.3219	2.7	(1,-6,-1)
38.78	2.3219	2.7	(1,6,-1)
38.79	2.3213	2.7	(1,6,1)
38.79	2.3213	2.7	(1,-6,1)
42.20	2.1415	1.4	(0,4,2)
42.20	2.1415	1.4	(0,4,-2)

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Energy Properties

Formation Energy/atom

-1.96273

eV/atom

Energy/atom

-7.25149

eV/atom

Energy above Hull

0.0634

eV/atom

Uncorrected Energy

-6.5714

eV/atom

Volume/atom

12.15

Å³

c/a Ratio

1.0044

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0005

μB

Mag. Ordering

AFM

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 · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

1.8144

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

43.592%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7244

smaller = more stable mixing

VEC

4.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.865

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.590

Family

O-rich Multi-Component

Matrix Element

O · 0.667

Related Tasks

Related computation task IDs (2)

aaabzfuo aaacxdzp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-756024

Reference Citation

The crystal structure and related material properties of Cr(SbO3)2 were obtained from the Materials Project database (MP-ID: mp-756024, 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_Cr(SbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76599516
_cell_length_b   19.17891723
_cell_length_c   4.78708273
_cell_angle_alpha   89.99954513
_cell_angle_beta   90.02949551
_cell_angle_gamma   89.99968061
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr(SbO3)2
_chemical_formula_sum   'Cr4 Sb8 O24'
_cell_volume   437.57102542
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.00000400  0.49995200  0.99995800  1.0
  Cr  Cr1  1  0.49999600  0.74996100  0.50004600  1.0
  Cr  Cr2  1  0.99998700  0.99995300  0.99997200  1.0
  Cr  Cr3  1  0.50007100  0.24999700  0.50002700  1.0
  Sb  Sb4  1  0.00019600  0.16657000  0.99999300  1.0
  Sb  Sb5  1  0.00014700  0.66655400  0.00006100  1.0
  Sb  Sb6  1  0.49983300  0.41646000  0.49997100  1.0
  Sb  Sb7  1  0.49978300  0.91644800  0.49996800  1.0
  Sb  Sb8  1  0.50015600  0.08349700  0.49995200  1.0
  Sb  Sb9  1  0.50016400  0.58352300  0.49999300  1.0
  Sb  Sb10  1  0.99986100  0.33342300  0.00001300  1.0
  Sb  Sb11  1  0.99979100  0.83341500  0.00006600  1.0
  O  O12  1  0.80190000  0.24992800  0.19104000  1.0
  O  O13  1  0.80190900  0.74991600  0.19102400  1.0
  O  O14  1  0.30187400  0.00014800  0.30891100  1.0
  O  O15  1  0.30196600  0.50016100  0.30898100  1.0
  O  O16  1  0.69805900  0.50013300  0.69098600  1.0
  O  O17  1  0.69810000  0.00011800  0.69100300  1.0
  O  O18  1  0.19813600  0.24995500  0.80892400  1.0
  O  O19  1  0.19800100  0.74994600  0.80909000  1.0
  O  O20  1  0.80416500  0.41744000  0.18799600  1.0
  O  O21  1  0.80421800  0.91742100  0.18788800  1.0
  O  O22  1  0.80438100  0.08287200  0.18836700  1.0
  O  O23  1  0.80437200  0.58289400  0.18841700  1.0
  O  O24  1  0.30416800  0.16700500  0.31132500  1.0
  O  O25  1  0.30413600  0.66698700  0.31137900  1.0
  O  O26  1  0.30387000  0.33268800  0.31169000  1.0
  O  O27  1  0.30370900  0.83266300  0.31162000  1.0
  O  O28  1  0.69636300  0.16699700  0.68852300  1.0
  O  O29  1  0.69633900  0.66698500  0.68858100  1.0
  O  O30  1  0.69573300  0.33269800  0.68845900  1.0
  O  O31  1  0.69580800  0.83268200  0.68858600  1.0
  O  O32  1  0.19538700  0.41743400  0.81182300  1.0
  O  O33  1  0.19524700  0.91740500  0.81195500  1.0
  O  O34  1  0.19608700  0.08287100  0.81169900  1.0
  O  O35  1  0.19608000  0.58289800  0.81171200  1.0

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