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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23292
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Ti', 'Ni', 'P', 'O']
  • Chemical System: Ni-O-P-Ti
  • Density: 3.7022868052981734
  • Atomic Density: 0.08885839476123125
  • Unit Cell Volume: 337.615822124765
  • Molar Volume: 6.777233345461523
  • Full Formula: Ti4 Ni2 P4 O20
  • Reduced Formula: Ti2Ni(PO5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m