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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224220

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-1224220
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['K', 'Na', 'V', 'Pb', 'O']
  • Chemical System: K-Na-O-Pb-V
  • Density: 5.822875054695533
  • Atomic Density: 0.05821747940447756
  • Unit Cell Volume: 687.0788706273595
  • Molar Volume: 10.344214180349471
  • Full Formula: K1 Na1 V6 Pb8 O24
  • Reduced Formula: KNaV6(PbO3)8
  • Formula Anonymous: ABC6D8E24
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -290.22319568
  • Final energy per atom: -7.255579892
  • 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.