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  1. Third-Parties
  2. MatprojStructure
  3. mp-759104

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-759104
  • 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: 88
  • Number of elements: 5
  • Element list: ['Li', 'V', 'P', 'H', 'O']
  • Chemical System: H-Li-O-P-V
  • Density: 3.0190260205824826
  • Atomic Density: 0.09574958247647962
  • Unit Cell Volume: 919.0640598523418
  • Molar Volume: 6.289469472599849
  • Full Formula: Li4 V12 P8 H16 O48
  • Reduced Formula: LiV3P2(HO3)4
  • Formula Anonymous: AB2C3D4E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -653.3924143099999
  • Final energy per atom: -7.424913798977272
  • 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.