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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233039

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-1233039
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 6
  • Element list: ['K', 'Ba', 'Mg', 'Co', 'N', 'O']
  • Chemical System: Ba-Co-K-Mg-N-O
  • Density: 2.663325540869617
  • Atomic Density: 0.06417858915273257
  • Unit Cell Volume: 358.3749705881578
  • Molar Volume: 9.383410946707592
  • Full Formula: K2 Ba1 Mg1 Co1 N6 O12
  • Reduced Formula: K2BaMgCo(NO2)6
  • Formula Anonymous: ABCD2E6F12
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -146.95028806
  • Final energy per atom: -6.389142959130434
  • 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.