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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180869

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-1180869
  • 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: 14
  • Number of elements: 4
  • Element list: ['K', 'Mg', 'C', 'O']
  • Chemical System: C-K-Mg-O
  • Density: 1.7699075716755237
  • Atomic Density: 0.06031106600068816
  • Unit Cell Volume: 232.12987148726998
  • Molar Volume: 9.985134004978931
  • Full Formula: K1 Mg1 C2 O10
  • Reduced Formula: KMg(CO5)2
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -86.13778146
  • Final energy per atom: -6.152698675714285
  • 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.