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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213545

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-1213545
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 4
  • Element list: ['K', 'Zr', 'C', 'O']
  • Chemical System: C-K-O-Zr
  • Density: 2.1423119790617955
  • Atomic Density: 0.06453592327841308
  • Unit Cell Volume: 2107.353441172372
  • Molar Volume: 9.331455186625297
  • Full Formula: K16 Zr4 C32 O84
  • Reduced Formula: K4ZrC8O21
  • Formula Anonymous: AB4C8D21
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -922.71908945
  • Final energy per atom: -6.784699187132353
  • 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.