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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181629

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-1181629
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['K', 'Mg', 'Nb', 'O']
  • Chemical System: K-Mg-Nb-O
  • Density: 1.893441127597813
  • Atomic Density: 0.05179053488173107
  • Unit Cell Volume: 1390.2154160875011
  • Molar Volume: 11.62787905889014
  • Full Formula: K4 Mg4 Nb4 O60
  • Reduced Formula: KMgNbO15
  • Formula Anonymous: ABCD15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -396.40294964
  • Final energy per atom: -5.505596522777777
  • 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.