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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105097
  • 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: 10
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'N', 'O']
  • Chemical System: La-N-O-Ti
  • Density: 6.2257880447793665
  • Atomic Density: 0.08053290429619084
  • Unit Cell Volume: 124.17284695484396
  • Molar Volume: 7.477863629320076
  • Full Formula: La2 Ti2 N2 O4
  • Reduced Formula: LaTiNO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm