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  1. Third-Parties
  2. MatprojStructure
  3. mp-1568

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-1568
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 2
  • Element list: ['K', 'P']
  • Chemical System: K-P
  • Density: 1.8724835368842883
  • Atomic Density: 0.034468748197902195
  • Unit Cell Volume: 1624.6601030729692
  • Molar Volume: 17.471306835467015
  • Full Formula: K12 P44
  • Reduced Formula: K3P11
  • Formula Anonymous: A3B11
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -269.1716021
  • Final energy per atom: -4.806635751785714
  • 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.