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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-41970
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'H', 'Pd']
  • Chemical System: Ba-H-Na-Pd
  • Density: 4.57551606772851
  • Atomic Density: 0.06128634703661187
  • Unit Cell Volume: 195.80217422375193
  • Molar Volume: 9.826235452412316
  • Full Formula: Ba2 Na2 H6 Pd2
  • Reduced Formula: BaNaH3Pd
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm