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  1. Third-Parties
  2. MatprojStructure
  3. mp-1016830

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-1016830
  • 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: 5
  • Number of elements: 3
  • Element list: ['Mg', 'Ti', 'O']
  • Chemical System: Mg-O-Ti
  • Density: 3.5172801857728566
  • Atomic Density: 0.08813148508699739
  • Unit Cell Volume: 56.73341366101276
  • Molar Volume: 6.833132057238515
  • Full Formula: Mg1 Ti1 O3
  • Reduced Formula: MgTiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -38.90713838
  • Final energy per atom: -7.781427676
  • 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.