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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98330
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 49
  • Number of elements: 5
  • Element list: ['Ca', 'Al', 'H', 'C', 'O']
  • Chemical System: Al-C-Ca-H-O
  • Density: 2.2379164133590663
  • Atomic Density: 0.11617154145316609
  • Unit Cell Volume: 421.79004760605744
  • Molar Volume: 5.1838347711240385
  • Full Formula: Ca4 Al2 H22 C1 O20
  • Reduced Formula: Ca4Al2H22CO20
  • Formula Anonymous: AB2C4D20E22
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1