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  1. Third-Parties
  2. MatprojStructure
  3. mp-557463

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-557463
  • 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: 52
  • Number of elements: 4
  • Element list: ['Na', 'Sc', 'Si', 'O']
  • Chemical System: Na-O-Sc-Si
  • Density: 2.771909307588638
  • Atomic Density: 0.07692765095353105
  • Unit Cell Volume: 675.959805810412
  • Molar Volume: 7.828317497485707
  • Full Formula: Na12 Sc4 Si8 O28
  • Reduced Formula: Na3ScSi2O7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -380.57590682
  • Final energy per atom: -7.318767438846153
  • 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.