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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173865

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-1173865
  • 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: 150
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'S', 'Cl', 'O']
  • Chemical System: Cl-Na-O-S-Zn
  • Density: 2.2280884204903506
  • Atomic Density: 0.06230514146688932
  • Unit Cell Volume: 2407.505969306147
  • Molar Volume: 9.665559885134572
  • Full Formula: Na42 Zn2 S20 Cl6 O80
  • Reduced Formula: Na21ZnS10Cl3O40
  • Formula Anonymous: AB3C10D21E40
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -863.20425196
  • Final energy per atom: -5.754695013066667
  • 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.