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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196581

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-1196581
  • 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: 240
  • Number of elements: 3
  • Element list: ['K', 'P', 'O']
  • Chemical System: K-O-P
  • Density: 2.2631930601033488
  • Atomic Density: 0.0577167652075994
  • Unit Cell Volume: 4158.237197402738
  • Molar Volume: 10.433954048427998
  • Full Formula: K48 P48 O144
  • Reduced Formula: KPO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1668.9414864900002
  • Final energy per atom: -6.953922860375001
  • 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.