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-114897
  • 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: 6
  • Number of elements: 3
  • Element list: ['Al', 'B', 'O']
  • Chemical System: Al-B-O
  • Density: 3.46378245393001
  • Atomic Density: 0.12295524376146173
  • Unit Cell Volume: 48.79824411263214
  • Molar Volume: 4.897831581451868
  • Full Formula: Al1 B1 O4
  • Reduced Formula: AlBO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm