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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223621

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1223621
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 6
  • Element list: ['K', 'Al', 'Si', 'Ni', 'H', 'O']
  • Chemical System: Al-H-K-Ni-O-Si
  • Density: 3.3762486340773727
  • Atomic Density: 0.08595075017534085
  • Unit Cell Volume: 255.96053501708437
  • Molar Volume: 7.006501685808141
  • Full Formula: K1 Al1 Si3 Ni3 H2 O12
  • Reduced Formula: KAlSi3Ni3(HO6)2
  • Formula Anonymous: ABC2D3E3F12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -158.25982044999998
  • Final energy per atom: -7.193628202272726
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.