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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12149
  • 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: 16
  • Number of elements: 3
  • Element list: ['Nb', 'Fe', 'Te']
  • Chemical System: Fe-Nb-Te
  • Density: 7.102677450180533
  • Atomic Density: 0.04235492240937175
  • Unit Cell Volume: 377.76010649613954
  • Molar Volume: 14.218278342702144
  • Full Formula: Nb4 Fe4 Te8
  • Reduced Formula: NbFeTe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 53
  • Spacegroup Symbol: Pmna
  • Crystal System: orthorhombic
  • Pointgroup: mmm