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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90010
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Pt', 'S', 'N']
  • Chemical System: N-Pt-S
  • Density: 4.1326852416912825
  • Atomic Density: 0.053909820191313
  • Unit Cell Volume: 166.94546500175966
  • Molar Volume: 11.170767660936114
  • Full Formula: Pt1 S6 N2
  • Reduced Formula: Pt(S3N)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m