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  1. Third-Parties
  2. MatprojStructure
  3. mp-559272

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-559272
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['K', 'Sb', 'S', 'O']
  • Chemical System: K-O-S-Sb
  • Density: 3.8037193504247964
  • Atomic Density: 0.04165497265464113
  • Unit Cell Volume: 1056.296456243084
  • Molar Volume: 14.457195326784166
  • Full Formula: K6 Sb14 S6 O18
  • Reduced Formula: K3Sb7(SO3)3
  • Formula Anonymous: A3B3C7D9
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -248.39480995
  • Final energy per atom: -5.645336589772727
  • 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.