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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85247
  • 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: 18
  • Number of elements: 3
  • Element list: ['Cu', 'Mo', 'Se']
  • Chemical System: Cu-Mo-Se
  • Density: 6.8454260543094465
  • Atomic Density: 0.0507719545727171
  • Unit Cell Volume: 354.5264339630626
  • Molar Volume: 11.861156047035598
  • Full Formula: Cu4 Mo6 Se8
  • Reduced Formula: Cu2Mo3Se4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1