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  1. Third-Parties
  2. MatprojStructure
  3. mp-1043866

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-1043866
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Mg', 'Ti', 'O']
  • Chemical System: Mg-O-Ti
  • Density: 3.238884675126046
  • Atomic Density: 0.07665374559339055
  • Unit Cell Volume: 574.0097846411551
  • Molar Volume: 7.856290274378005
  • Full Formula: Mg4 Ti12 O28
  • Reduced Formula: MgTi3O7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -386.69660554
  • Final energy per atom: -8.788559216818182
  • 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.