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  1. Third-Parties
  2. MatprojStructure
  3. mp-1142857

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-1142857
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Si', 'Mo', 'O']
  • Chemical System: Mo-O-Si
  • Density: 4.878339708759753
  • Atomic Density: 0.09374820991059417
  • Unit Cell Volume: 768.0146646924244
  • Molar Volume: 6.423739467391641
  • Full Formula: Si12 Mo12 O48
  • Reduced Formula: SiMoO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -603.01386843
  • Final energy per atom: -8.375192617083334
  • 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.