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  1. Third-Parties
  2. MatprojStructure
  3. mp-770674

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-770674
  • 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: 76
  • Number of elements: 4
  • Element list: ['Li', 'V', 'Fe', 'O']
  • Chemical System: Fe-Li-O-V
  • Density: 3.3651588596456334
  • Atomic Density: 0.08404072226026343
  • Unit Cell Volume: 904.3234988466384
  • Molar Volume: 7.165741319250203
  • Full Formula: Li9 V12 Fe7 O48
  • Reduced Formula: Li9V12Fe7O48
  • Formula Anonymous: A7B9C12D48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -582.09458374
  • Final energy per atom: -7.6591392597368415
  • 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.