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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21253
  • 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: 20
  • Number of elements: 3
  • Element list: ['Te', 'S', 'O']
  • Chemical System: O-S-Te
  • Density: 4.6101165670997615
  • Atomic Density: 0.06953542871395581
  • Unit Cell Volume: 287.62316375833296
  • Molar Volume: 8.66053588994606
  • Full Formula: Te4 S2 O14
  • Reduced Formula: Te2SO7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2