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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34022
  • 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: 18
  • Number of elements: 3
  • Element list: ['Te', 'Mo', 'S']
  • Chemical System: Mo-S-Te
  • Density: 5.75741584967502
  • Atomic Density: 0.04648547819884679
  • Unit Cell Volume: 387.21770104209753
  • Molar Volume: 12.954886113550613
  • Full Formula: Te4 Mo6 S8
  • Reduced Formula: Te2Mo3S4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm