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  1. Third-Parties
  2. MatprojStructure
  3. mp-1236558

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-1236558
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 6
  • Element list: ['K', 'Ba', 'Li', 'Co', 'N', 'O']
  • Chemical System: Ba-Co-K-Li-N-O
  • Density: 2.6704977358810686
  • Atomic Density: 0.0663559689444102
  • Unit Cell Volume: 346.61538917875316
  • Molar Volume: 9.075507231376662
  • Full Formula: K2 Ba1 Li1 Co1 N6 O12
  • Reduced Formula: K2BaLiCo(NO2)6
  • Formula Anonymous: ABCD2E6F12
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -147.84958451
  • Final energy per atom: -6.428242804782609
  • 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.