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  1. Third-Parties
  2. MatprojStructure
  3. mp-669555

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-669555
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['K', 'C', 'N', 'O']
  • Chemical System: C-K-N-O
  • Density: 1.7771674844294054
  • Atomic Density: 0.06224749187143056
  • Unit Cell Volume: 706.8557893204766
  • Molar Volume: 9.67451150070185
  • Full Formula: K4 C4 N12 O24
  • Reduced Formula: KC(NO2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -291.43983704
  • Final energy per atom: -6.623632659999999
  • 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.