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  1. Third-Parties
  2. MatprojStructure
  3. mp-546643

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-546643
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['K', 'C', 'O']
  • Chemical System: C-K-O
  • Density: 2.5097769426718894
  • Atomic Density: 0.05853149410471167
  • Unit Cell Volume: 153.76337367877846
  • Molar Volume: 10.288718666956477
  • Full Formula: K4 C1 O4
  • Reduced Formula: K4CO4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -48.15453871
  • Final energy per atom: -5.350504301111111
  • 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.