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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112107
  • 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: 27
  • Number of elements: 4
  • Element list: ['Ti', 'H', 'C', 'O']
  • Chemical System: C-H-O-Ti
  • Density: 1.522166325265073
  • Atomic Density: 0.11145608429996232
  • Unit Cell Volume: 242.2478787908497
  • Molar Volume: 5.403151203295984
  • Full Formula: Ti1 H14 C8 O4
  • Reduced Formula: TiH14(C2O)4
  • Formula Anonymous: AB4C8D14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1