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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223905

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-1223905
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['K', 'Ti', 'Te', 'O']
  • Chemical System: K-O-Te-Ti
  • Density: 4.344510664358402
  • Atomic Density: 0.0671947328634396
  • Unit Cell Volume: 267.87813914792315
  • Molar Volume: 8.962221447086996
  • Full Formula: K2 Ti1 Te3 O12
  • Reduced Formula: K2Ti(TeO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -114.71724642
  • Final energy per atom: -6.3731803566666665
  • 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.