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  1. Third-Parties
  2. MatprojStructure
  3. mp-6678

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-6678
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['K', 'Hg', 'Sb', 'S']
  • Chemical System: Hg-K-S-Sb
  • Density: 4.306545837113519
  • Atomic Density: 0.034001973016257986
  • Unit Cell Volume: 705.8413930428226
  • Molar Volume: 17.711150929743177
  • Full Formula: K4 Hg4 Sb4 S12
  • Reduced Formula: KHgSbS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -90.41670023
  • Final energy per atom: -3.7673625095833336
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.