Ba2YSbO6

Elasticity Data ELA

MP-ID: mp-6492 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Ba2YSbO6

MP-ID

mp-6492

Elements

Sites

Density

6.2205

g/cm³

Volume

155.18

Å³

Cell a

6.0319

Cell b

6.0319

Cell c

6.0319

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 10)

2θ	d (Å)	I	hkl
18.01	4.9250	1.7	(1,1,1)
29.62	3.0159	100.0	(2,1,1)
36.49	2.4625	4.3	(2,2,2)
42.38	2.1326	30.7	(2,2,0)
52.56	1.7413	40.0	(3,3,2)
61.49	1.5080	19.0	(4,2,2)
69.72	1.3488	17.8	(4,3,1)
73.66	1.2860	1.2	(4,4,2)
77.53	1.2313	6.3	(4,4,4)
85.11	1.1399	21.2	(5,4,3)

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Energy Properties

Formation Energy/atom

-3.07595

eV/atom

Energy/atom

-7.49233

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.0801

eV/atom

Volume/atom

15.52

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

3.545

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

129.550

GPa

G_VRH

78.167

GPa

Young's Modulus E

195.235

GPa

Poisson Ratio ν

0.249

Pugh Ratio K/G

1.657

Vickers Hardness Est.

11.182

GPa

Ductility

Ductile

Anisotropy

0.103

Lame λ

77.439

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1030

Homogeneous Poisson ν

0.2490

Debye Temperature

658.6

Sound Velocity

3,934.9

m/s

Homogeneity

0.2490

Related Tasks

Related computation task IDs (5)

aaablvtl aaadsvxn aaaemydg aaaezvhw aaafwyhi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-6492

Reference Citation

The crystal structure and related material properties of Ba2YSbO6 were obtained from the Materials Project database (MP-ID: mp-6492, 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_Ba2YSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03186409
_cell_length_b   6.03186409
_cell_length_c   6.03186409
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YSbO6
_chemical_formula_sum   'Ba2 Y1 Sb1 O6'
_cell_volume   155.18139232
_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
  Ba  Ba0  1  0.25000000  0.25000000  0.25000000  1.0
  Ba  Ba1  1  0.75000000  0.75000000  0.75000000  1.0
  Y  Y2  1  0.00000000  0.00000000  0.00000000  1.0
  Sb  Sb3  1  0.50000000  0.50000000  0.50000000  1.0
  O  O4  1  0.26343300  0.73656700  0.26343300  1.0
  O  O5  1  0.26343300  0.73656700  0.73656700  1.0
  O  O6  1  0.73656700  0.26343300  0.26343300  1.0
  O  O7  1  0.73656700  0.73656700  0.26343300  1.0
  O  O8  1  0.73656700  0.26343300  0.73656700  1.0
  O  O9  1  0.26343300  0.26343300  0.73656700  1.0

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