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  1. Third-Parties
  2. MatprojStructure
  3. mp-18115

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-18115
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['K', 'Sn', 'Hg', 'S']
  • Chemical System: Hg-K-S-Sn
  • Density: 4.348283674180082
  • Atomic Density: 0.033460042339874076
  • Unit Cell Volume: 896.5918122658569
  • Molar Volume: 17.998006992428284
  • Full Formula: K4 Sn4 Hg6 S16
  • Reduced Formula: K2Sn2Hg3S8
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -112.18489817
  • Final energy per atom: -3.7394966056666665
  • 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.