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  1. Third-Parties
  2. MatprojStructure
  3. mp-569112

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-569112
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Mn', 'N']
  • Chemical System: Ca-Li-Mn-N
  • Density: 2.946434102955425
  • Atomic Density: 0.08992239715573674
  • Unit Cell Volume: 177.93119963527633
  • Molar Volume: 6.697042061245592
  • Full Formula: Li6 Ca2 Mn2 N6
  • Reduced Formula: Li3CaMnN3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -96.58753111
  • Final energy per atom: -6.036720694375
  • 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.