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  1. Third-Parties
  2. MatprojStructure
  3. mp-691065

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-691065
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 5
  • Element list: ['K', 'Ba', 'Ca', 'U', 'O']
  • Chemical System: Ba-Ca-K-O-U
  • Density: 5.902842360288758
  • Atomic Density: 0.05870732130394353
  • Unit Cell Volume: 1328.6247484563826
  • Molar Volume: 10.257904169774266
  • Full Formula: K12 Ba4 Ca2 U12 O48
  • Reduced Formula: K6Ba2CaU6O24
  • Formula Anonymous: AB2C6D6E24
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -658.30939536
  • Final energy per atom: -8.439864043076923
  • 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.