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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223420

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-1223420
  • 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: 116
  • Number of elements: 6
  • Element list: ['Li', 'Nd', 'Si', 'N', 'O', 'F']
  • Chemical System: F-Li-N-Nd-O-Si
  • Density: 3.8347305552059403
  • Atomic Density: 0.08678062205260217
  • Unit Cell Volume: 1336.703946759986
  • Molar Volume: 6.9394994153760186
  • Full Formula: Li28 Nd10 Si22 N38 O14 F4
  • Reduced Formula: Li14Nd5Si11N19O7F2
  • Formula Anonymous: A2B5C7D11E14F19
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -830.07964653
  • Final energy per atom: -7.155859021810345
  • 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.