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-119162
  • 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: 28
  • Number of elements: 4
  • Element list: ['Na', 'Sc', 'Ti', 'O']
  • Chemical System: Na-O-Sc-Ti
  • Density: 3.8339003236763296
  • Atomic Density: 0.08988251993616515
  • Unit Cell Volume: 311.51774582961946
  • Molar Volume: 6.700013266513827
  • Full Formula: Na4 Sc4 Ti4 O16
  • Reduced Formula: NaScTiO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2