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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29421
  • 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: 60
  • Number of elements: 4
  • Element list: ['Mg', 'H', 'C', 'O']
  • Chemical System: C-H-Mg-O
  • Density: 1.8680550140660135
  • Atomic Density: 0.11221976452968714
  • Unit Cell Volume: 534.6651746371052
  • Molar Volume: 5.366381568557716
  • Full Formula: Mg4 H24 C8 O24
  • Reduced Formula: MgH6(CO3)2
  • Formula Anonymous: AB2C6D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm