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  1. Third-Parties
  2. MatprojStructure
  3. mp-1176889

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-1176889
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 102
  • Number of elements: 4
  • Element list: ['Li', 'V', 'C', 'O']
  • Chemical System: C-Li-O-V
  • Density: 2.343751582179766
  • Atomic Density: 0.08444380953790188
  • Unit Cell Volume: 1207.903818624125
  • Molar Volume: 7.131536098329402
  • Full Formula: Li14 V8 C20 O60
  • Reduced Formula: Li7V4(CO3)10
  • Formula Anonymous: A4B7C10D30
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -789.6997016600001
  • Final energy per atom: -7.742153937843138
  • 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.