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  1. Third-Parties
  2. MatprojStructure
  3. mp-725121

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-725121
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['K', 'Li', 'Mn', 'Mo', 'O']
  • Chemical System: K-Li-Mn-Mo-O
  • Density: 3.388054715785573
  • Atomic Density: 0.05947521289493924
  • Unit Cell Volume: 1277.8432610951925
  • Molar Volume: 10.12546314149037
  • Full Formula: K6 Li2 Mn8 Mo12 O48
  • Reduced Formula: K3LiMn4(MoO4)6
  • Formula Anonymous: AB3C4D6E24
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -614.5113333
  • Final energy per atom: -8.085675438157896
  • 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.