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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220814

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-1220814
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'H', 'S', 'O']
  • Chemical System: H-Na-O-S-Zn
  • Density: 3.385411090938076
  • Atomic Density: 0.08527027915581667
  • Unit Cell Volume: 422.18696076057444
  • Molar Volume: 7.062414735379933
  • Full Formula: Na2 Zn6 H6 S4 O18
  • Reduced Formula: NaZn3H3S2O9
  • Formula Anonymous: AB2C3D3E9
  • Spacegroup Number: 158
  • Spacegroup Symbol: P3c1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -196.56860516
  • Final energy per atom: -5.460239032222223
  • 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.