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  1. Third-Parties
  2. MatprojStructure
  3. mp-720643

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-720643
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['K', 'Zr', 'Si', 'H', 'O']
  • Chemical System: H-K-O-Si-Zr
  • Density: 2.683848580519303
  • Atomic Density: 0.06998661609463434
  • Unit Cell Volume: 1028.7681276466233
  • Molar Volume: 8.604703436235575
  • Full Formula: K8 Zr4 Si12 H8 O40
  • Reduced Formula: K2ZrSi3(HO5)2
  • Formula Anonymous: AB2C2D3E10
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -542.39236434
  • Final energy per atom: -7.5332272824999995
  • 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.