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  1. Third-Parties
  2. MatprojStructure
  3. mp-735596

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-735596
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['K', 'Mo', 'H', 'O']
  • Chemical System: H-K-Mo-O
  • Density: 2.871637497765569
  • Atomic Density: 0.06723021066325802
  • Unit Cell Volume: 832.9588654792742
  • Molar Volume: 8.957492027153739
  • Full Formula: K8 Mo6 H8 O34
  • Reduced Formula: K4Mo3H4O17
  • Formula Anonymous: A3B4C4D17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -362.65716066
  • Final energy per atom: -6.476020726071428
  • 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.