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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90721
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Th', 'Cu', 'P', 'O']
  • Chemical System: Cu-O-P-Th
  • Density: 8.90713381214786
  • Atomic Density: 0.06263480686849644
  • Unit Cell Volume: 127.72450974098518
  • Molar Volume: 9.61468720202755
  • Full Formula: Th2 Cu2 P2 O2
  • Reduced Formula: ThCuPO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm