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  1. Third-Parties
  2. MatprojStructure
  3. mp-554959

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-554959
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['K', 'Al', 'Sb', 'O']
  • Chemical System: Al-K-O-Sb
  • Density: 3.475333790292436
  • Atomic Density: 0.05579044946175809
  • Unit Cell Volume: 233.01479241372542
  • Molar Volume: 10.794214454443342
  • Full Formula: K2 Al2 Sb2 O7
  • Reduced Formula: K2Al2Sb2O7
  • Formula Anonymous: A2B2C2D7
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -85.57606374
  • Final energy per atom: -6.582774133846153
  • 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.