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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88076
  • 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: 20
  • Number of elements: 4
  • Element list: ['K', 'Ta', 'B', 'O']
  • Chemical System: B-K-O-Ta
  • Density: 4.128251603303306
  • Atomic Density: 0.07362605890253454
  • Unit Cell Volume: 271.64295221174075
  • Molar Volume: 8.17936047340528
  • Full Formula: K2 Ta2 B4 O12
  • Reduced Formula: KTa(BO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2