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  1. Third-Parties
  2. MatprojStructure
  3. mp-744188

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-744188
  • 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: 60
  • Number of elements: 5
  • Element list: ['K', 'Mo', 'H', 'O', 'F']
  • Chemical System: F-H-K-Mo-O
  • Density: 3.082344291393617
  • Atomic Density: 0.07120259555880055
  • Unit Cell Volume: 842.6659102679871
  • Molar Volume: 8.45775454214558
  • Full Formula: K6 Mo8 H12 O32 F2
  • Reduced Formula: K3Mo4H6O16F
  • Formula Anonymous: AB3C4D6E16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -408.20398002
  • Final energy per atom: -6.803399667
  • 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.