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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220908

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-1220908
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Na', 'S', 'O', 'F']
  • Chemical System: F-Na-O-S
  • Density: 2.222280128136615
  • Atomic Density: 0.0657897578985801
  • Unit Cell Volume: 182.39921202474872
  • Molar Volume: 9.153614411051011
  • Full Formula: Na2 S2 O6 F2
  • Reduced Formula: NaSO3F
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -70.72250599
  • Final energy per atom: -5.893542165833334
  • 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.