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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224071

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-1224071
  • 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: 24
  • Number of elements: 4
  • Element list: ['K', 'Cu', 'C', 'O']
  • Chemical System: C-Cu-K-O
  • Density: 2.256603701316254
  • Atomic Density: 0.04645413798642368
  • Unit Cell Volume: 516.6385824878303
  • Molar Volume: 12.963626107452438
  • Full Formula: K10 Cu2 C2 O10
  • Reduced Formula: K5CuCO5
  • Formula Anonymous: ABC5D5
  • Spacegroup Number: 39
  • Spacegroup Symbol: Aem2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -127.92786574000002
  • Final energy per atom: -5.330327739166667
  • 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.