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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-89396
  • 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: 56
  • Number of elements: 5
  • Element list: ['Na', 'Cd', 'H', 'C', 'O']
  • Chemical System: C-Cd-H-Na-O
  • Density: 2.6962940750050692
  • Atomic Density: 0.08405319938634272
  • Unit Cell Volume: 666.2447165467338
  • Molar Volume: 7.164677613662021
  • Full Formula: Na4 Cd4 H12 C12 O24
  • Reduced Formula: NaCdH3(CO2)3
  • Formula Anonymous: ABC3D3E6
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm