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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9736
  • 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: 16
  • Number of elements: 3
  • Element list: ['Cu', 'P', 'Se']
  • Chemical System: Cu-P-Se
  • Density: 5.288080788066403
  • Atomic Density: 0.047402307136903965
  • Unit Cell Volume: 337.5363134496796
  • Molar Volume: 12.704319945034074
  • Full Formula: Cu6 P2 Se8
  • Reduced Formula: Cu3PSe4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2