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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1743433
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Ca', 'H', 'Na', 'Nb']
  • Chemical System: Ca-H-Na-Nb
  • Density: 2.5489117936585246
  • Atomic Density: 0.08526578500199045
  • Unit Cell Volume: 105.55230330419059
  • Molar Volume: 7.062786978222766
  • Full Formula: Na1 Ca1 Nb1 H6
  • Reduced Formula: NaCaNbH6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m