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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40129
  • 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: 26
  • Number of elements: 5
  • Element list: ['Ca', 'Re', 'H', 'Cl', 'O']
  • Chemical System: Ca-Cl-H-O-Re
  • Density: 3.589261427832278
  • Atomic Density: 0.07767323736252314
  • Unit Cell Volume: 334.73562945047064
  • Molar Volume: 7.7531733766843685
  • Full Formula: Ca2 Re2 H8 Cl2 O12
  • Reduced Formula: CaReH4ClO6
  • Formula Anonymous: ABCD4E6
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm