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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21547
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Th', 'P', 'O']
  • Chemical System: O-P-Th
  • Density: 3.6746742965482286
  • Atomic Density: 0.05450842511688876
  • Unit Cell Volume: 733.8315116282179
  • Molar Volume: 11.048091642871764
  • Full Formula: Th4 P8 O28
  • Reduced Formula: ThP2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3