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  1. Third-Parties
  2. MatprojStructure
  3. mp-773046

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-773046
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 4
  • Element list: ['Mg', 'Sc', 'Si', 'O']
  • Chemical System: Mg-O-Sc-Si
  • Density: 3.0241039173820634
  • Atomic Density: 0.08447759762583786
  • Unit Cell Volume: 461.66085561211173
  • Molar Volume: 7.128683733020956
  • Full Formula: Mg4 Sc3 Si8 O24
  • Reduced Formula: Mg4Sc3(SiO3)8
  • Formula Anonymous: A3B4C8D24
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -316.2739061
  • Final energy per atom: -8.109587335897436
  • 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.