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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194756

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-1194756
  • 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: 72
  • Number of elements: 5
  • Element list: ['Na', 'Lu', 'C', 'O', 'F']
  • Chemical System: C-F-Lu-Na-O
  • Density: 3.442407584333469
  • Atomic Density: 0.08008391229813899
  • Unit Cell Volume: 899.0569757875471
  • Molar Volume: 7.5197884159062784
  • Full Formula: Na16 Lu4 C12 O36 F4
  • Reduced Formula: Na4LuC3O9F
  • Formula Anonymous: ABC3D4E9
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -512.84457934
  • Final energy per atom: -7.122841379722222
  • 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.