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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16867
  • 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: 6
  • Number of elements: 3
  • Element list: ['Th', 'P', 'S']
  • Chemical System: P-S-Th
  • Density: 7.505692017950304
  • Atomic Density: 0.04595447403414706
  • Unit Cell Volume: 130.56400113602916
  • Molar Volume: 13.104579883832791
  • Full Formula: Th2 P2 S2
  • Reduced Formula: ThPS
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm