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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-117395
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Mg', 'Ti', 'Mn', 'S']
  • Chemical System: Mg-Mn-S-Ti
  • Density: 3.142754958147125
  • Atomic Density: 0.05117031296394678
  • Unit Cell Volume: 273.5961378595441
  • Molar Volume: 11.76881752558957
  • Full Formula: Mg2 Ti1 Mn3 S8
  • Reduced Formula: Mg2TiMn3S8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m