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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50848
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Pr', 'S', 'O']
  • Chemical System: O-Pr-S
  • Density: 5.444051390875205
  • Atomic Density: 0.04528985200205171
  • Unit Cell Volume: 441.6000299381408
  • Molar Volume: 13.296887699538487
  • Full Formula: Pr8 S8 O4
  • Reduced Formula: Pr2S2O
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m