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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98445
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 50
  • Number of elements: 6
  • Element list: ['K', 'Al', 'Ni', 'P', 'H', 'O']
  • Chemical System: Al-H-K-Ni-O-P
  • Density: 2.8676334049708743
  • Atomic Density: 0.09133336731127084
  • Unit Cell Volume: 547.44505181328
  • Molar Volume: 6.593582320770131
  • Full Formula: K2 Al4 Ni2 P6 H8 O28
  • Reduced Formula: KAl2NiP3(H2O7)2
  • Formula Anonymous: ABC2D3E4F14
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m