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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-122486
  • 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: 16
  • Number of elements: 4
  • Element list: ['Cu', 'P', 'Se', 'S']
  • Chemical System: Cu-P-S-Se
  • Density: 4.793936625719359
  • Atomic Density: 0.0520572447522817
  • Unit Cell Volume: 307.3539538278908
  • Molar Volume: 11.568304831838121
  • Full Formula: Cu6 P2 Se4 S4
  • Reduced Formula: Cu3P(SeS)2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2