Basic Information
Formula
Sb(WO4)2
MP-ID
mp-1047602
Elements
3
Sites
11
Density
5.9773
g/cm³
Volume
171.53
ų
Cell a
5.2153
Å
Cell b
5.6124
Å
Cell c
6.5224
Å
α Angle
109.56
°
β Angle
92.72
°
γ Angle
105.34
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 14.58 | 6.0768 | 100.0 | (0,0,1) |
| 17.57 | 5.0482 | 55.9 | (0,1,0) |
| 17.84 | 4.9727 | 14.4 | (1,0,0) |
| 18.36 | 4.8330 | 3.9 | (0,1,-1) |
| 21.01 | 4.2282 | 24.4 | (1,-1,0) |
| 21.33 | 4.1662 | 28.8 | (1,0,-1) |
| 23.44 | 3.7955 | 18.2 | (1,-1,1) |
| 24.77 | 3.5938 | 87.9 | (1,0,1) |
| 27.73 | 3.2172 | 64.4 | (1,-1,-1) |
| 27.80 | 3.2093 | 57.0 | (1,1,-1) |
| 28.30 | 3.1537 | 29.4 | (0,1,-2) |
| 28.71 | 3.1095 | 1.2 | (1,1,0) |
| 29.40 | 3.0384 | 4.6 | (0,0,2) |
| 32.14 | 2.7848 | 4.2 | (1,0,-2) |
| 33.16 | 2.7015 | 21.4 | (0,2,-1) |
| 33.17 | 2.7012 | 2.2 | (1,-1,2) |
| 33.52 | 2.6737 | 22.8 | (1,-2,1) |
| 34.13 | 2.6269 | 14.0 | (1,1,-2) |
| 35.16 | 2.5523 | 21.0 | (2,-1,0) |
| 35.57 | 2.5241 | 17.4 | (0,2,0) |
| 36.13 | 2.4864 | 9.9 | (2,0,0) |
| 36.37 | 2.4700 | 6.1 | (1,1,1) |
| 36.91 | 2.4356 | 9.6 | (1,0,2) |
| 37.84 | 2.3776 | 9.0 | (2,-1,1) |
Energy Properties
Formation Energy/atom
-1.88246
eV/atom
Energy/atom
-8.21237
eV/atom
Energy above Hull
0.2124
eV/atom
Uncorrected Energy
-6.9058
eV/atom
Volume/atom
15.59
ų
c/a Ratio
1.2506
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.727
Element Family
Metalloid-Nonmetal
Solute Fraction
0.273
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7595
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.3149
J/mol·K
Ω Parameter
2.5950
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
43.981%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5325
smaller = more stable mixing
VEC
4.455
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.932
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6914
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1047602
Reference Citation
The crystal structure and related material properties of Sb(WO4)2 were obtained from the Materials Project database (MP-ID: mp-1047602, 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_Sb(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21528400
_cell_length_b 5.61238236
_cell_length_c 6.52236104
_cell_angle_alpha 109.55863096
_cell_angle_beta 92.71795560
_cell_angle_gamma 105.34485475
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sb(WO4)2
_chemical_formula_sum 'Sb1 W2 O8'
_cell_volume 171.52760207
_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
Sb Sb0 1 0.50000000 0.00000000 0.00000000 1.0
W W1 1 0.24875500 0.52757100 0.18985300 1.0
W W2 1 0.75124500 0.47242900 0.81014700 1.0
O O3 1 0.18617200 0.70950600 0.44315300 1.0
O O4 1 0.34314900 0.25393300 0.24393500 1.0
O O5 1 0.12805400 0.69251700 0.96619600 1.0
O O6 1 0.41446200 0.24721600 0.83157400 1.0
O O7 1 0.65685100 0.74606700 0.75606500 1.0
O O8 1 0.81382800 0.29049400 0.55684700 1.0
O O9 1 0.87194600 0.30748300 0.03380400 1.0
O O10 1 0.58553800 0.75278400 0.16842600 1.0
