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  1. Third-Parties
  2. MatprojStructure
  3. mp-555825

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-555825
  • 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: 92
  • Number of elements: 4
  • Element list: ['Na', 'Sc', 'Si', 'O']
  • Chemical System: Na-O-Sc-Si
  • Density: 2.971354959312847
  • Atomic Density: 0.08195060323386172
  • Unit Cell Volume: 1122.6274898484933
  • Molar Volume: 7.3485008314272795
  • Full Formula: Na16 Sc8 Si16 O52
  • Reduced Formula: Na4Sc2Si4O13
  • Formula Anonymous: A2B4C4D13
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -706.36036303
  • Final energy per atom: -7.677830032934783
  • 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.