Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50978
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Sc', 'Ga', 'O']
  • Chemical System: Ga-O-Sc
  • Density: 5.256305673154507
  • Atomic Density: 0.09729153739913336
  • Unit Cell Volume: 205.56772494971543
  • Molar Volume: 6.189788876800752
  • Full Formula: Sc4 Ga4 O12
  • Reduced Formula: ScGaO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm