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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34281
  • 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: 4
  • Number of elements: 4
  • Element list: ['Zr', 'Ta', 'N', 'O']
  • Chemical System: N-O-Ta-Zr
  • Density: 9.522305284588278
  • Atomic Density: 0.07590846004503646
  • Unit Cell Volume: 52.69504871560827
  • Molar Volume: 7.933425018011256
  • Full Formula: Zr1 Ta1 N1 O1
  • Reduced Formula: ZrTaNO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2