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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90036
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ti', 'Fe', 'P']
  • Chemical System: Fe-P-Ti
  • Density: 6.045267739909728
  • Atomic Density: 0.08108975900705319
  • Unit Cell Volume: 110.98812119070647
  • Molar Volume: 7.426512094426369
  • Full Formula: Ti3 Fe3 P3
  • Reduced Formula: TiFeP
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m