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  1. Third-Parties
  2. MatprojStructure
  3. mp-698134

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-698134
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Sb', 'H', 'O', 'F']
  • Chemical System: F-H-K-Na-O-Sb
  • Density: 2.9960431418492806
  • Atomic Density: 0.07373641637768187
  • Unit Cell Volume: 678.0909956879017
  • Molar Volume: 8.167118848242195
  • Full Formula: K4 Na4 Sb4 H12 O6 F20
  • Reduced Formula: K2Na2Sb2H6O3F10
  • Formula Anonymous: A2B2C2D3E6F10
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -249.94578704
  • Final energy per atom: -4.9989157408
  • 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.