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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-1450
  • 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: ['Nd', 'Tl', 'S']
  • Chemical System: Nd-S-Tl
  • Density: 6.11387600555145
  • Atomic Density: 0.0356808229062993
  • Unit Cell Volume: 112.10503778190095
  • Molar Volume: 16.87780793569314
  • Full Formula: Nd1 Tl1 S2
  • Reduced Formula: NdTlS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m