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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100781
  • 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: 4
  • Element list: ['Zr', 'Mn', 'Cu', 'Se']
  • Chemical System: Cu-Mn-Se-Zr
  • Density: 5.833070785277296
  • Atomic Density: 0.04770385800674382
  • Unit Cell Volume: 167.70132090509435
  • Molar Volume: 12.62401200160511
  • Full Formula: Zr1 Mn1 Cu2 Se4
  • Reduced Formula: ZrMn(CuSe2)2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m