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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53682
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 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: 4.04959824853305
  • Atomic Density: 0.060942182748559344
  • Unit Cell Volume: 114.86296821499191
  • Molar Volume: 9.881728038601246
  • Full Formula: Ti1 Cr2 S4
  • Reduced Formula: Ti(CrS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m