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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100791
  • 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: 5
  • Number of elements: 4
  • Element list: ['Th', 'P', 'N', 'O']
  • Chemical System: N-O-P-Th
  • Density: 8.958363901913902
  • Atomic Density: 0.05137407273199279
  • Unit Cell Volume: 97.32535759981299
  • Molar Volume: 11.722140059668194
  • Full Formula: Th2 P1 N1 O1
  • Reduced Formula: Th2PNO
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1