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  1. Third-Parties
  2. MatprojStructure
  3. mp-706228

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-706228
  • 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: 76
  • Number of elements: 5
  • Element list: ['K', 'Ti', 'Co', 'P', 'O']
  • Chemical System: Co-K-O-P-Ti
  • Density: 3.075634929334246
  • Atomic Density: 0.07578231249886246
  • Unit Cell Volume: 1002.8725370598952
  • Molar Volume: 7.9466310296223766
  • Full Formula: K8 Ti6 Co2 P12 O48
  • Reduced Formula: K4Ti3Co(PO4)6
  • Formula Anonymous: AB3C4D6E24
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -590.63464182
  • Final energy per atom: -7.771508444999999
  • 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.