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  1. Third-Parties
  2. MatprojStructure
  3. mp-8696

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-8696
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Se', 'O']
  • Chemical System: K-Na-O-Se
  • Density: 2.9784778308385436
  • Atomic Density: 0.05891962824411231
  • Unit Cell Volume: 237.6118182890773
  • Molar Volume: 10.220941542688326
  • Full Formula: K3 Na1 Se2 O8
  • Reduced Formula: K3Na(SeO4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -76.34841397999999
  • Final energy per atom: -5.4534581414285705
  • 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.