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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112736
  • 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: ['La', 'Mg', 'Ti', 'S']
  • Chemical System: La-Mg-S-Ti
  • Density: 3.5339506939576126
  • Atomic Density: 0.038708859100394025
  • Unit Cell Volume: 361.6743124278104
  • Molar Volume: 15.55752584797494
  • Full Formula: La3 Mg2 Ti1 S8
  • Reduced Formula: La3Mg2TiS8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m