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  1. Third-Parties
  2. MatprojStructure
  3. mp-706366

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-706366
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 5
  • Element list: ['K', 'H', 'S', 'N', 'O']
  • Chemical System: H-K-N-O-S
  • Density: 2.2117977735880774
  • Atomic Density: 0.06908695930854278
  • Unit Cell Volume: 1244.8080051681459
  • Molar Volume: 8.716754681741142
  • Full Formula: K12 H12 S12 N4 O46
  • Reduced Formula: K6H6S6N2O23
  • Formula Anonymous: A2B6C6D6E23
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -514.19769828
  • Final energy per atom: -5.979043003255814
  • 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.