Sr4Fe3WO12
High-Entropy Materials HEAMP-ID: mp-3292550 · Space group: P4/mmm (#123)
Basic Information
Formula
Sr4Fe3WO12
MP-ID
mp-3292550
Elements
4
Sites
20
Density
6.1597
g/cm³
Volume
240.97
ų
Cell a
5.5172
Å
Cell b
5.5172
Å
Cell c
7.9162
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
Yes
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 |
|---|---|---|---|
| 11.18 | 7.9162 | 5.0 | (0,0,1) |
| 16.06 | 5.5172 | 10.1 | (1,0,0) |
| 19.61 | 4.5264 | 12.3 | (1,0,1) |
| 22.46 | 3.9581 | 1.2 | (0,0,2) |
| 22.79 | 3.9013 | 1.9 | (1,1,0) |
| 25.45 | 3.4994 | 11.0 | (1,1,1) |
| 27.74 | 3.2161 | 5.7 | (1,0,2) |
| 32.22 | 2.7785 | 100.0 | (1,1,2) |
| 32.46 | 2.7586 | 50.1 | (2,0,0) |
| 33.97 | 2.6387 | 2.6 | (0,0,3) |
| 34.43 | 2.6050 | 1.6 | (2,0,1) |
| 36.41 | 2.4674 | 2.4 | (2,1,0) |
| 37.79 | 2.3805 | 2.1 | (1,0,3) |
| 38.21 | 2.3556 | 4.8 | (2,1,1) |
| 39.83 | 2.2632 | 4.4 | (2,0,2) |
| 43.21 | 2.0939 | 3.1 | (2,1,2) |
| 45.85 | 1.9790 | 17.0 | (0,0,4) |
| 46.56 | 1.9506 | 34.5 | (2,2,0) |
| 47.69 | 1.9068 | 4.1 | (2,0,3) |
| 48.89 | 1.8628 | 1.2 | (1,0,4) |
| 50.65 | 1.8022 | 1.9 | (2,1,3) |
| 50.98 | 1.7914 | 1.1 | (3,0,1) |
| 53.80 | 1.7038 | 3.0 | (3,1,1) |
| 57.29 | 1.6080 | 18.2 | (2,0,4) |
Energy Properties
Formation Energy/atom
-2.51101
eV/atom
Energy/atom
-13.85406
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.8541
eV/atom
Volume/atom
12.05
ų
c/a Ratio
1.4348
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
13.9010
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.057690
μB/ų
Elastic Properties
Elastic data not available
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
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0627
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8356
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
54.966%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0284
smaller = more stable mixing
VEC
4.300
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7666
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292550
Reference Citation
The crystal structure and related material properties of Sr4Fe3WO12 were obtained from the Materials Project database (MP-ID: mp-3292550, 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
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Sr4Fe3WO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51722504
_cell_length_b 5.51722504
_cell_length_c 7.91616168
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr4Fe3WO12
_chemical_formula_sum 'Sr4 Fe3 W1 O12'
_cell_volume 240.96615733
_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 0.50000000 0.00000000 0.73408529 1.0
Sr Sr1 1 0.00000000 0.50000000 0.26591471 1.0
Sr Sr2 1 0.50000000 0.00000000 0.26591471 1.0
Sr Sr3 1 0.00000000 0.50000000 0.73408529 1.0
Fe Fe4 1 0.00000000 0.00000000 0.00000000 1.0
Fe Fe5 1 0.50000000 0.50000000 0.50000000 1.0
Fe Fe6 1 0.00000000 0.00000000 0.50000000 1.0
W W7 1 0.50000000 0.50000000 0.00000000 1.0
O O8 1 0.00000000 0.00000000 0.74742758 1.0
O O9 1 0.50000000 0.50000000 0.24065962 1.0
O O10 1 0.74415336 0.74415336 0.50000000 1.0
O O11 1 0.25489394 0.25489394 0.00000000 1.0
O O12 1 0.74415336 0.25584664 0.50000000 1.0
O O13 1 0.25489394 0.74510606 0.00000000 1.0
O O14 1 0.00000000 0.00000000 0.25257242 1.0
O O15 1 0.50000000 0.50000000 0.75934038 1.0
O O16 1 0.25584664 0.25584664 0.50000000 1.0
O O17 1 0.74510606 0.74510606 0.00000000 1.0
O O18 1 0.25584664 0.74415336 0.50000000 1.0
O O19 1 0.74510606 0.25489394 0.00000000 1.0
