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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-94895
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Ti', 'Cr', 'S']
  • Chemical System: Cr-S-Ti
  • Density: 3.9441973102323287
  • Atomic Density: 0.05935600978779242
  • Unit Cell Volume: 117.93245578714203
  • Molar Volume: 10.145797841752087
  • Full Formula: Ti1 Cr2 S4
  • Reduced Formula: Ti(CrS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m