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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86808
  • 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: 16
  • Number of elements: 5
  • Element list: ['H', 'Au', 'C', 'N', 'Cl']
  • Chemical System: Au-C-Cl-H-N
  • Density: 4.01685752782935
  • Atomic Density: 0.07076447067230043
  • Unit Cell Volume: 226.10216465962958
  • Molar Volume: 8.510119135756169
  • Full Formula: H6 Au2 C4 N2 Cl2
  • Reduced Formula: H3AuC2NCl
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m