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  1. Third-Parties
  2. MatprojStructure
  3. mp-769262

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-769262
  • 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: 80
  • Number of elements: 3
  • Element list: ['K', 'Y', 'O']
  • Chemical System: K-O-Y
  • Density: 2.5766401560366057
  • Atomic Density: 0.044538216506534056
  • Unit Cell Volume: 1796.2102274181425
  • Molar Volume: 13.52128853007958
  • Full Formula: K40 Y8 O32
  • Reduced Formula: K5YO4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -412.55698204
  • Final energy per atom: -5.1569622755
  • 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.