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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224471

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-1224471
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 6
  • Element list: ['Li', 'Ce', 'Si', 'N', 'O', 'F']
  • Chemical System: Ce-F-Li-N-O-Si
  • Density: 3.7739963337603846
  • Atomic Density: 0.08656321805165328
  • Unit Cell Volume: 1340.0610861160621
  • Molar Volume: 6.956928006542593
  • Full Formula: Li28 Ce10 Si22 N38 O14 F4
  • Reduced Formula: Li14Ce5Si11N19O7F2
  • Formula Anonymous: A2B5C7D11E14F19
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -838.16513183
  • Final energy per atom: -7.225561481293103
  • 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.