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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-643899
  • Created at: Sept. 4, 2022, 3:18 p.m.
  • Last updated at: Sept. 4, 2022, 3:18 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 38
  • Number of elements: 7
  • Element list: ['Br', 'Cl', 'Cr', 'Cs', 'H', 'N', 'O']
  • Chemical System: Br-Cl-Cr-Cs-H-N-O
  • Density: 2.6030712390491324
  • Atomic Density: 0.09224155875434444
  • Unit Cell Volume: 411.9618154025423
  • Molar Volume: 6.528663263419068
  • Full Formula: Cs1 Cr1 H18 Br2 N6 Cl2 O8
  • Reduced Formula: CsCrH18Br2N6(ClO4)2
  • Formula Anonymous: ABC2D2E6F8G18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3