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  1. Third-Parties
  2. MatprojStructure
  3. mp-5836

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-5836
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Th', 'Si', 'O']
  • Chemical System: O-Si-Th
  • Density: 6.523797720229725
  • Atomic Density: 0.07272692996884375
  • Unit Cell Volume: 165.0007776368507
  • Molar Volume: 8.280482570321459
  • Full Formula: Th2 Si2 O8
  • Reduced Formula: ThSiO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -111.17802009
  • Final energy per atom: -9.2648350075
  • 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.