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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-7127
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 5
  • Element list: ['H', 'Pb', 'C', 'Br', 'N']
  • Chemical System: Br-C-H-N-Pb
  • Density: 3.7569374759842153
  • Atomic Density: 0.05668281631549115
  • Unit Cell Volume: 211.70437144846764
  • Molar Volume: 10.624279369749976
  • Full Formula: H6 Pb1 C1 Br3 N1
  • Reduced Formula: H6PbCBr3N
  • Formula Anonymous: ABCD3E6
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m