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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96481
  • 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: 28
  • Number of elements: 3
  • Element list: ['Sc', 'Se', 'O']
  • Chemical System: O-Sc-Se
  • Density: 3.576242055621781
  • Atomic Density: 0.06404451093840421
  • Unit Cell Volume: 437.1959374774433
  • Molar Volume: 9.403055268533297
  • Full Formula: Sc4 Se6 O18
  • Reduced Formula: Sc2(SeO3)3
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m