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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85919
  • 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: 18
  • Number of elements: 5
  • Element list: ['K', 'C', 'Br', 'N', 'O']
  • Chemical System: Br-C-K-N-O
  • Density: 2.7233936779105896
  • Atomic Density: 0.06618388187390349
  • Unit Cell Volume: 271.9695413800963
  • Molar Volume: 9.099104781242136
  • Full Formula: K2 C2 Br2 N4 O8
  • Reduced Formula: KCBr(NO2)2
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1