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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-4237
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['N', 'S', 'Th']
  • Chemical System: N-S-Th
  • Density: 9.036303713505422
  • Atomic Density: 0.05191016280050969
  • Unit Cell Volume: 96.32025272613683
  • Molar Volume: 11.601082399111394
  • Full Formula: Th2 S1 N2
  • Reduced Formula: Th2SN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1