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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104665
  • 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: 4
  • Number of elements: 4
  • Element list: ['Zn', 'Ga', 'P', 'Se']
  • Chemical System: Ga-P-Se-Zn
  • Density: 4.608172909069305
  • Atomic Density: 0.04529570461078804
  • Unit Cell Volume: 88.30859425569734
  • Molar Volume: 13.295169623138422
  • Full Formula: Zn1 Ga1 P1 Se1
  • Reduced Formula: ZnGaPSe
  • Formula Anonymous: ABCD
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m