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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59103
  • 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: 26
  • Number of elements: 3
  • Element list: ['Zn', 'P', 'S']
  • Chemical System: P-S-Zn
  • Density: 3.054774177860576
  • Atomic Density: 0.04646477280974751
  • Unit Cell Volume: 559.5636958445571
  • Molar Volume: 12.960659002160577
  • Full Formula: Zn6 P4 S16
  • Reduced Formula: Zn3(PS4)2
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2