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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-12357
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 27
  • Number of elements: 5
  • Element list: ['Ca', 'H', 'O', 'P', 'V']
  • Chemical System: Ca-H-O-P-V
  • Density: 2.940736825931538
  • Atomic Density: 0.10967826022893669
  • Unit Cell Volume: 246.17458321860326
  • Molar Volume: 5.490733302506529
  • Full Formula: Ca1 V2 P2 H8 O14
  • Reduced Formula: CaV2P2(H4O7)2
  • Formula Anonymous: AB2C2D8E14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1