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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11172
  • 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: 18
  • Number of elements: 3
  • Element list: ['Th', 'P', 'S']
  • Chemical System: P-S-Th
  • Density: 3.3957794825560987
  • Atomic Density: 0.03784087121619543
  • Unit Cell Volume: 475.67615177676515
  • Molar Volume: 15.914381900971133
  • Full Formula: Th2 P4 S12
  • Reduced Formula: Th(PS3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 84
  • Spacegroup Symbol: P4_2/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m