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  1. Third-Parties
  2. MatprojStructure
  3. mp-20694

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-20694
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['K', 'Pb', 'O']
  • Chemical System: K-O-Pb
  • Density: 5.613397226813134
  • Atomic Density: 0.04377265148932464
  • Unit Cell Volume: 319.83440627110167
  • Molar Volume: 13.757770103254293
  • Full Formula: K4 Pb4 O6
  • Reduced Formula: K2Pb2O3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 199
  • Spacegroup Symbol: I2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -70.9235584
  • Final energy per atom: -5.065968457142858
  • 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.