Sr2GaSb2O7
High-Entropy Materials HEAMP-ID: mp-1048045 · Space group: C2 (#5)
Basic Information
Formula
Sr2GaSb2O7
MP-ID
mp-1048045
Elements
4
Sites
24
Density
5.2514
g/cm³
Volume
379.75
ų
Cell a
11.4993
Å
Cell b
11.4993
Å
Cell c
6.0456
Å
α Angle
75.18
°
β Angle
75.18
°
γ Angle
29.51
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mC
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 8.24 | 10.7241 | 1.2 | (1,1,0) |
| 15.20 | 5.8303 | 1.5 | (0,0,1) |
| 16.53 | 5.3621 | 44.4 | (2,2,0) |
| 19.15 | 4.6337 | 3.7 | (1,1,-1) |
| 19.30 | 4.5990 | 3.6 | (2,2,1) |
| 21.12 | 4.2067 | 48.0 | (1,0,1) |
| 22.66 | 3.9232 | 27.4 | (1,0,-1) |
| 22.75 | 3.9091 | 29.7 | (2,1,1) |
| 24.91 | 3.5747 | 26.6 | (3,3,0) |
| 25.37 | 3.5111 | 3.8 | (2,2,-1) |
| 25.55 | 3.4859 | 4.1 | (3,3,1) |
| 26.87 | 3.3183 | 15.7 | (2,1,-1) |
| 27.01 | 3.3012 | 17.7 | (3,2,1) |
| 29.55 | 3.0227 | 65.5 | (1,1,2) |
| 30.52 | 2.9287 | 76.8 | (1,-1,0) |
| 32.66 | 2.7415 | 2.9 | (3,3,-1) |
| 32.79 | 2.7312 | 100.0 | (3,2,-1) |
| 32.87 | 2.7247 | 2.5 | (4,4,1) |
| 32.97 | 2.7169 | 96.4 | (4,3,1) |
| 33.42 | 2.6810 | 5.0 | (4,4,0) |
| 33.60 | 2.6675 | 4.5 | (1,0,2) |
| 33.65 | 2.6631 | 5.0 | (2,1,2) |
| 33.93 | 2.6418 | 6.2 | (1,1,-2) |
| 34.16 | 2.6246 | 4.9 | (3,3,2) |
Energy Properties
Formation Energy/atom
-2.35172
eV/atom
Energy/atom
-6.46061
eV/atom
Energy above Hull
0.1229
eV/atom
Uncorrected Energy
-6.0599
eV/atom
Volume/atom
15.82
ų
c/a Ratio
0.5257
Electronic Properties
Metallic
Metal
Band Gap
0
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
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.583
Element Family
Metalloid-Nonmetal
Solute Fraction
0.417
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1187
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3012
J/mol·K
Ω Parameter
4.6549
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
53.017%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9821
smaller = more stable mixing
VEC
3.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.765
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8070
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1048045
Reference Citation
The crystal structure and related material properties of Sr2GaSb2O7 were obtained from the Materials Project database (MP-ID: mp-1048045, 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_Sr2GaSb2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.49927725
_cell_length_b 11.49927725
_cell_length_c 6.04555858
_cell_angle_alpha 75.18120421
_cell_angle_beta 75.18120421
_cell_angle_gamma 29.50964126
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2GaSb2O7
_chemical_formula_sum 'Sr4 Ga2 Sb4 O14'
_cell_volume 379.75033925
_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
Sr Sr0 1 0.84752100 0.85049100 0.62552300 1.0
Sr Sr1 1 0.14950900 0.15247900 0.37447700 1.0
Sr Sr2 1 0.34541900 0.35259300 0.17658400 1.0
Sr Sr3 1 0.64740700 0.65458100 0.82341600 1.0
Ga Ga4 1 0.71051400 0.78996900 0.16240100 1.0
Ga Ga5 1 0.21003100 0.28948600 0.83759900 1.0
Sb Sb6 1 0.57283000 0.57243600 0.42088700 1.0
Sb Sb7 1 0.92942900 0.92556100 0.07179400 1.0
Sb Sb8 1 0.07443900 0.07057100 0.92820600 1.0
Sb Sb9 1 0.42756400 0.42717000 0.57911300 1.0
O O10 1 0.67552800 0.16735700 0.31835800 1.0
O O11 1 0.39001700 0.10988700 0.09884900 1.0
O O12 1 0.16701700 0.67793400 0.32742900 1.0
O O13 1 0.19410500 0.15586700 0.76617700 1.0
O O14 1 0.85251900 0.33326500 0.14694700 1.0
O O15 1 0.33766200 0.84669600 0.15014600 1.0
O O16 1 0.89011300 0.60998300 0.90115100 1.0
O O17 1 0.32206600 0.83298300 0.67257100 1.0
O O18 1 0.83264300 0.32447200 0.68164200 1.0
O O19 1 0.68967000 0.65970700 0.38133500 1.0
O O20 1 0.84413300 0.80589500 0.23382300 1.0
O O21 1 0.34029300 0.31033000 0.61866500 1.0
O O22 1 0.66673500 0.14748100 0.85305300 1.0
O O23 1 0.15330400 0.66233800 0.84985400 1.0
