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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112142
  • 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: ['Mg', 'H', 'C', 'O']
  • Chemical System: C-H-Mg-O
  • Density: 2.2112348769825054
  • Atomic Density: 0.10539221653918632
  • Unit Cell Volume: 189.7673344080748
  • Molar Volume: 5.714027997277088
  • Full Formula: Mg2 H4 C6 O8
  • Reduced Formula: MgH2C3O4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1