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  1. Third-Parties
  2. MatprojStructure
  3. mp-1041491

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-1041491
  • 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: 80
  • Number of elements: 4
  • Element list: ['Mg', 'Ti', 'Si', 'O']
  • Chemical System: Mg-O-Si-Ti
  • Density: 3.3443435688181262
  • Atomic Density: 0.08977516980157518
  • Unit Cell Volume: 891.1149951241455
  • Molar Volume: 6.708024917480398
  • Full Formula: Mg8 Ti8 Si16 O48
  • Reduced Formula: MgTi(SiO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -641.4880922
  • Final energy per atom: -8.0186011525
  • 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.