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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33908
  • 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: 24
  • Number of elements: 3
  • Element list: ['Te', 'Mo', 'S']
  • Chemical System: Mo-S-Te
  • Density: 6.834980752413767
  • Atomic Density: 0.04070363945033007
  • Unit Cell Volume: 589.627864340897
  • Molar Volume: 14.795091646162776
  • Full Formula: Te12 Mo8 S4
  • Reduced Formula: Te3Mo2S
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2