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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228356

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-1228356
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 6
  • Element list: ['K', 'Te', 'Mo', 'H', 'N', 'O']
  • Chemical System: H-K-Mo-N-O-Te
  • Density: 2.88905618751776
  • Atomic Density: 0.07238384258632179
  • Unit Cell Volume: 1878.8723441673103
  • Molar Volume: 8.319730681357873
  • Full Formula: K10 Te4 Mo12 H36 N2 O72
  • Reduced Formula: K5Te2Mo6H18NO36
  • Formula Anonymous: AB2C5D6E18F36
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -858.35792289
  • Final energy per atom: -6.311455315367647
  • 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.