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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99949
  • 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: 4
  • Number of elements: 3
  • Element list: ['Na', 'Pr', 'S']
  • Chemical System: Na-Pr-S
  • Density: 3.8295064096274025
  • Atomic Density: 0.04045447994085304
  • Unit Cell Volume: 98.87656461900507
  • Molar Volume: 14.886214750022107
  • Full Formula: Na1 Pr1 S2
  • Reduced Formula: NaPrS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m