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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21368
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ca', 'Mg', 'C', 'O']
  • Chemical System: C-Ca-Mg-O
  • Density: 2.8422720069779297
  • Atomic Density: 0.09282260223461024
  • Unit Cell Volume: 107.73238154565932
  • Molar Volume: 6.4877956607798675
  • Full Formula: Ca1 Mg1 C2 O6
  • Reduced Formula: CaMg(CO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3