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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2994
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Mg', 'Sb']
  • Chemical System: Ca-Mg-Sb
  • Density: 3.885235285033992
  • Atomic Density: 0.035215036634095316
  • Unit Cell Volume: 141.98480188883244
  • Molar Volume: 17.101049255105256
  • Full Formula: Ca1 Mg2 Sb2
  • Reduced Formula: Ca(MgSb)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1