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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63450
  • 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: 8
  • Number of elements: 3
  • Element list: ['K', 'Au', 'Se']
  • Chemical System: Au-K-Se
  • Density: 5.958539679617024
  • Atomic Density: 0.03643100789954396
  • Unit Cell Volume: 219.59315597469768
  • Molar Volume: 16.530261190153308
  • Full Formula: K2 Au2 Se4
  • Reduced Formula: KAuSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm