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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-643238
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['B', 'C', 'H', 'Mg', 'S']
  • Chemical System: B-C-H-Mg-S
  • Density: 0.917472410988792
  • Atomic Density: 0.10068454139004838
  • Unit Cell Volume: 615.7846988627
  • Molar Volume: 5.981196990976438
  • Full Formula: Mg4 B8 H44 C4 S2
  • Reduced Formula: Mg2B4H22C2S
  • Formula Anonymous: AB2C2D4E22
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m