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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195062

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-1195062
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 5
  • Element list: ['K', 'Na', 'H', 'Xe', 'O']
  • Chemical System: H-K-Na-O-Xe
  • Density: 2.3077417419651356
  • Atomic Density: 0.09814892890536898
  • Unit Cell Volume: 713.2018737310013
  • Molar Volume: 6.1357172484340525
  • Full Formula: K4 Na4 H32 Xe2 O28
  • Reduced Formula: K2Na2H16XeO14
  • Formula Anonymous: AB2C2D14E16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -335.94168617
  • Final energy per atom: -4.799166945285715
  • 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.