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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198684

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-1198684
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 94
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'O']
  • Chemical System: K-Mo-O
  • Density: 2.9137461474117146
  • Atomic Density: 0.05687058891312794
  • Unit Cell Volume: 1652.8754457526138
  • Molar Volume: 10.589200630925514
  • Full Formula: K12 Mo14 O68
  • Reduced Formula: K6Mo7O34
  • Formula Anonymous: A6B7C34
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -593.13153771
  • Final energy per atom: -6.3099099756382975
  • 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.