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Sr2GaSbO6

Elasticity Data ELA

MP-ID: mp-6304 · Space group: I4/m (#87)

Materials Project API

Basic Information

Formula
Sr2GaSbO6
MP-ID
mp-6304
Elements
4
Sites
10
Density
6.0570
g/cm³
Volume
126.86
ų
Cell a
5.6636
Å
Cell b
5.6636
Å
Cell c
5.6636
Å
α Angle
120.80
°
β Angle
120.80
°
γ Angle
88.61
°
Space Group
I4/m
Point Group
4/m
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 19)
2θd (Å)Ihkl
19.28 4.6044 7.1 (1,0,0)
21.93 4.0530 1.7 (1,1,-1)
22.47 3.9560 2.6 (0,0,1)
31.60 2.8310 100.0 (1,1,0)
31.99 2.7973 52.5 (1,-1,1)
36.94 2.4331 1.2 (2,1,-1)
37.62 2.3907 3.7 (1,0,1)
39.13 2.3022 2.5 (2,0,0)
44.72 2.0265 18.4 (2,2,-2)
45.88 1.9780 31.7 (0,0,2)
49.66 1.8358 1.5 (2,1,0)
56.04 1.6411 21.3 (3,1,-1)
56.78 1.6214 41.6 (2,0,1)
66.00 1.4155 19.9 (2,2,0)
66.90 1.3987 9.0 (2,-2,2)
74.17 1.2785 8.9 (3,3,-2)
75.87 1.2540 7.4 (1,1,2)
76.09 1.2510 9.8 (1,-1,3)
84.09 1.1511 9.4 (4,0,0)
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Energy Properties

Formation Energy/atom
-2.62973
eV/atom
Energy/atom
-6.65271
eV/atom
Energy above Hull
0.0265
eV/atom
Uncorrected Energy
-6.2405
eV/atom
Volume/atom
12.69
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
1.307
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
144.046
GPa
GVRH
47.009
GPa
Young's Modulus E
127.191
GPa
Poisson Ratio ν
0.353
Pugh Ratio K/G
3.064
Vickers Hardness Est.
2.132
GPa
Ductility
Brittle
Anisotropy
1.438
Lame λ
112.707
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 AU
1.4380
Homogeneous Poisson ν
0.3530
Debye Temperature
536.6
K
Sound Velocity
3,133.4
m/s
Homogeneity
0.3530

Related Tasks

Related computation task IDs (5)
aaabnkak aaaefzdi aaaeusuq aaaezrkm aaafsrgn

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-6304
Reference Citation

The crystal structure and related material properties of Sr2GaSbO6 were obtained from the Materials Project database (MP-ID: mp-6304, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Sr2GaSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66360335
_cell_length_b   5.66360335
_cell_length_c   5.66360335
_cell_angle_alpha   120.80457974
_cell_angle_beta   120.80457974
_cell_angle_gamma   88.61198614
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaSbO6
_chemical_formula_sum   'Sr2 Ga1 Sb1 O6'
_cell_volume   126.85609036
_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  0.75000000  0.25000000  0.50000000  1.0
  Sr  Sr1  1  0.25000000  0.75000000  0.50000000  1.0
  Ga  Ga2  1  0.00000000  0.00000000  0.00000000  1.0
  Sb  Sb3  1  0.50000000  0.50000000  0.00000000  1.0
  O  O4  1  0.79194800  0.70861300  0.50056100  1.0
  O  O5  1  0.29138700  0.79194800  0.08333500  1.0
  O  O6  1  0.70861300  0.20805200  0.91666500  1.0
  O  O7  1  0.20805200  0.29138700  0.49943900  1.0
  O  O8  1  0.74790800  0.74790800  0.00000000  1.0
  O  O9  1  0.25209200  0.25209200  0.00000000  1.0
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