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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87203
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Sb', 'Mo', 'Se']
  • Chemical System: Mo-Sb-Se
  • Density: 6.835183593410832
  • Atomic Density: 0.03935035393545958
  • Unit Cell Volume: 813.207425084022
  • Molar Volume: 15.303904940416048
  • Full Formula: Sb16 Mo8 Se8
  • Reduced Formula: Sb2MoSe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m