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  1. Third-Parties
  2. MatprojStructure
  3. mp-831190

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-831190
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['Li', 'V', 'P', 'H', 'O']
  • Chemical System: H-Li-O-P-V
  • Density: 2.4422762579177983
  • Atomic Density: 0.11292612539873445
  • Unit Cell Volume: 584.4528869378853
  • Molar Volume: 5.332814473830774
  • Full Formula: Li4 V4 P4 H24 O30
  • Reduced Formula: Li2V2P2(H4O5)3
  • Formula Anonymous: A2B2C2D12E15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -421.17979112
  • Final energy per atom: -6.381511986666666
  • 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.