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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116665
  • 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: 17
  • Number of elements: 4
  • Element list: ['Nb', 'V', 'C', 'S']
  • Chemical System: C-Nb-S-V
  • Density: 5.980219645238507
  • Atomic Density: 0.06896512327249515
  • Unit Cell Volume: 246.50140815132832
  • Molar Volume: 8.732153984855945
  • Full Formula: Nb6 V2 C3 S6
  • Reduced Formula: Nb6V2(CS2)3
  • Formula Anonymous: A2B3C6D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m