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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42637
  • 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: 18
  • Number of elements: 3
  • Element list: ['Cr', 'P', 'O']
  • Chemical System: Cr-O-P
  • Density: 3.2577492068799443
  • Atomic Density: 0.08410383844792857
  • Unit Cell Volume: 214.02114733615144
  • Molar Volume: 7.160363749305572
  • Full Formula: Cr2 P4 O12
  • Reduced Formula: Cr(PO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m