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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-45603
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ta', 'P', 'O']
  • Chemical System: O-P-Ta
  • Density: 5.311751303477265
  • Atomic Density: 0.07670520689081442
  • Unit Cell Volume: 365.0338892880693
  • Molar Volume: 7.851019512367892
  • Full Formula: Ta4 P4 O20
  • Reduced Formula: TaPO5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm