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  1. Third-Parties
  2. MatprojStructure
  3. mp-1177776

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-1177776
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Li', 'V', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-O-P-V
  • Density: 2.9029861184593444
  • Atomic Density: 0.08208387090137209
  • Unit Cell Volume: 536.0370986020898
  • Molar Volume: 7.336570137190418
  • Full Formula: Li4 V2 Fe2 P8 O28
  • Reduced Formula: Li2VFe(P2O7)2
  • Formula Anonymous: ABC2D4E14
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -340.2434986
  • Final energy per atom: -7.7328067863636365
  • 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.