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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221251

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-1221251
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 6
  • Element list: ['Na', 'Ni', 'Ag', 'S', 'N', 'O']
  • Chemical System: Ag-N-Na-Ni-O-S
  • Density: 2.546557952615106
  • Atomic Density: 0.055455290632627045
  • Unit Cell Volume: 577.0414262543391
  • Molar Volume: 10.859452166421217
  • Full Formula: Na4 Ni1 Ag2 S8 N5 O12
  • Reduced Formula: Na4NiAg2S8N5O12
  • Formula Anonymous: AB2C4D5E8F12
  • Spacegroup Number: 79
  • Spacegroup Symbol: I4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -166.45953938
  • Final energy per atom: -5.201860605625
  • 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.