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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87029
  • 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: 14
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'S']
  • Chemical System: K-Mo-S
  • Density: 4.7612091658024145
  • Atomic Density: 0.047436160139426226
  • Unit Cell Volume: 295.1335006638533
  • Molar Volume: 12.695253457066272
  • Full Formula: K2 Mo6 S6
  • Reduced Formula: K(MoS)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m