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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194804

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-1194804
  • 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: 92
  • Number of elements: 5
  • Element list: ['K', 'Th', 'Mg', 'Mo', 'O']
  • Chemical System: K-Mg-Mo-O-Th
  • Density: 4.189034109441147
  • Atomic Density: 0.05584094040353749
  • Unit Cell Volume: 1647.536723686191
  • Molar Volume: 10.784454410116812
  • Full Formula: K4 Th6 Mg2 Mo16 O64
  • Reduced Formula: K2Th3Mg(MoO4)8
  • Formula Anonymous: AB2C3D8E32
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -777.8854836700001
  • Final energy per atom: -8.455276996413044
  • 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.