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Hg4SbHO6

High-Entropy Materials HEA

MP-ID: mp-1095460 · Space group: P1 (#1)

Basic Information

Formula
Hg4SbHO6
MP-ID
mp-1095460
Elements
4
Sites
12
Density
8.4341
g/cm³
Volume
201.04
ų
Cell a
4.9878
Å
Cell b
4.9920
Å
Cell c
8.7394
Å
α Angle
104.73
°
β Angle
105.57
°
γ Angle
92.97
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
10.94 8.0852 2.2 (0,0,1)
18.53 4.7877 1.5 (0,1,0)
18.62 4.7648 2.7 (1,0,0)
18.66 4.7559 11.4 (1,0,-1)
18.72 4.7393 2.3 (0,1,-1)
21.99 4.0426 1.3 (0,0,2)
24.29 3.6643 6.8 (1,0,1)
24.37 3.6522 3.1 (1,0,-2)
24.60 3.6183 100.0 (1,-1,0)
25.94 3.4355 78.1 (1,1,-1)
26.89 3.3159 5.5 (1,-1,-1)
27.11 3.2896 2.1 (1,-1,1)
28.07 3.1788 1.7 (1,1,0)
28.38 3.1452 3.6 (1,1,-2)
32.74 2.7357 46.5 (0,1,2)
32.97 2.7166 39.9 (1,0,2)
33.08 2.7084 33.6 (1,0,-3)
33.24 2.6951 3.9 (0,0,3)
33.30 2.6909 41.9 (0,1,-3)
33.41 2.6819 2.8 (1,-1,2)
34.51 2.5990 1.9 (1,1,-3)
36.04 2.4922 32.1 (0,2,-1)
36.06 2.4905 20.2 (2,0,-1)
37.76 2.3824 2.6 (2,0,0)
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Energy Properties

Formation Energy/atom
-0.65088
eV/atom
Energy/atom
-3.85510
eV/atom
Energy above Hull
0.3932
eV/atom
Uncorrected Energy
-3.5116
eV/atom
Volume/atom
16.75
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0002
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 · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1269
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3693
J/mol·K
Ω Parameter
1.2043
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
50.465%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.7011
smaller = more stable mixing
VEC
6.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.416
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8129
SS Former
0
Phase Tendency
IM

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1095460
Reference Citation

The crystal structure and related material properties of Hg4SbHO6 were obtained from the Materials Project database (MP-ID: mp-1095460, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Hg4SbHO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98776300
_cell_length_b   4.99197575
_cell_length_c   8.73942445
_cell_angle_alpha   104.72962596
_cell_angle_beta   105.56645595
_cell_angle_gamma   92.96635007
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg4SbHO6
_chemical_formula_sum   'Hg4 Sb1 H1 O6'
_cell_volume   201.04247229
_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
  Hg  Hg0  1  0.96950100  0.90830400  0.98771400  1.0
  Hg  Hg1  1  0.17675900  0.10485900  0.34021300  1.0
  Hg  Hg2  1  0.33508600  0.30088500  0.74126500  1.0
  Hg  Hg3  1  0.68405500  0.49621400  0.14457900  1.0
  Sb  Sb4  1  0.75631900  0.70299900  0.55857200  1.0
  H  H5  1  0.54705100  0.25748000  0.96234000  1.0
  O  O6  1  0.67493000  0.59355500  0.75437300  1.0
  O  O7  1  0.05349800  0.46025800  0.54491900  1.0
  O  O8  1  0.49397900  0.40448000  0.34698600  1.0
  O  O9  1  0.03260200  0.00253900  0.75807500  1.0
  O  O10  1  0.83725600  0.84040700  0.35545700  1.0
  O  O11  1  0.47076600  0.95652000  0.54670600  1.0
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