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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59533
  • 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: 26
  • Number of elements: 3
  • Element list: ['Nb', 'Cr', 'Se']
  • Chemical System: Cr-Nb-Se
  • Density: 6.322864565426519
  • Atomic Density: 0.04690633807834523
  • Unit Cell Volume: 554.296094412093
  • Molar Volume: 12.83865039718413
  • Full Formula: Nb8 Cr2 Se16
  • Reduced Formula: Nb4CrSe8
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm