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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112323
  • 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: 20
  • Number of elements: 4
  • Element list: ['Na', 'Cr', 'P', 'S']
  • Chemical System: Cr-Na-P-S
  • Density: 2.3951058999109107
  • Atomic Density: 0.04379787516974563
  • Unit Cell Volume: 456.64315728758123
  • Molar Volume: 13.749846851383172
  • Full Formula: Na2 Cr2 P4 S12
  • Reduced Formula: NaCr(PS3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2