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  1. Third-Parties
  2. MatprojStructure
  3. mp-778168

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-778168
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Li', 'V', 'P', 'H', 'O']
  • Chemical System: H-Li-O-P-V
  • Density: 2.87690818882226
  • Atomic Density: 0.0822984597905649
  • Unit Cell Volume: 364.5268705677448
  • Molar Volume: 7.317440417870869
  • Full Formula: Li2 V4 P4 H2 O18
  • Reduced Formula: LiV2P2HO9
  • Formula Anonymous: ABC2D2E9
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -232.80505618
  • Final energy per atom: -7.760168539333334
  • 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.