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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112162
  • 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: 10
  • Number of elements: 4
  • Element list: ['Cd', 'H', 'C', 'O']
  • Chemical System: C-Cd-H-O
  • Density: 3.6008636837911974
  • Atomic Density: 0.10111561029676293
  • Unit Cell Volume: 98.89669825115159
  • Molar Volume: 5.955698375676808
  • Full Formula: Cd1 H2 C3 O4
  • Reduced Formula: CdH2C3O4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1