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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35892
  • 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: 6
  • Number of elements: 4
  • Element list: ['Hf', 'Ta', 'N', 'O']
  • Chemical System: Hf-N-O-Ta
  • Density: 10.56753225290323
  • Atomic Density: 0.09060186068649534
  • Unit Cell Volume: 66.22380549955228
  • Molar Volume: 6.646817973019433
  • Full Formula: Hf1 Ta1 N1 O3
  • Reduced Formula: HfTaNO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2