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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11286
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ca', 'Ti', 'S']
  • Chemical System: Ca-S-Ti
  • Density: 2.663202268016689
  • Atomic Density: 0.043326376470053246
  • Unit Cell Volume: 369.29005616380215
  • Molar Volume: 13.899479371792015
  • Full Formula: Ca2 Ti4 S10
  • Reduced Formula: CaTi2S5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm