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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-14178
  • 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: 8
  • Number of elements: 2
  • Element list: ['Ti', 'Cu']
  • Chemical System: Cu-Ti
  • Density: 7.5747145793615
  • Atomic Density: 0.076503213650872
  • Unit Cell Volume: 104.5707705366285
  • Molar Volume: 7.87174874441547
  • Full Formula: Ti2 Cu6
  • Reduced Formula: TiCu3
  • Formula Anonymous: AB3
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm