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  1. Third-Parties
  2. MatprojStructure
  3. mp-1187425

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-1187425
  • 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: 5
  • Number of elements: 3
  • Element list: ['Th', 'Si', 'O']
  • Chemical System: O-Si-Th
  • Density: 8.7321810952055
  • Atomic Density: 0.08533383639524718
  • Unit Cell Volume: 58.593404576833066
  • Molar Volume: 7.057154599386339
  • Full Formula: Th1 Si1 O3
  • Reduced Formula: ThSiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -40.17250882
  • Final energy per atom: -8.034501764
  • 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.