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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103519

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-1103519
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['K', 'Cu', 'O']
  • Chemical System: Cu-K-O
  • Density: 3.218519860682631
  • Atomic Density: 0.04900988332271633
  • Unit Cell Volume: 244.84857311296514
  • Molar Volume: 12.287604768095228
  • Full Formula: K4 Cu4 O4
  • Reduced Formula: KCuO
  • Formula Anonymous: ABC
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -55.31530209
  • Final energy per atom: -4.6096085075
  • 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.