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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238064

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-1238064
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['V', 'P', 'H', 'O']
  • Chemical System: H-O-P-V
  • Density: 1.6455170828997925
  • Atomic Density: 0.09198833536941782
  • Unit Cell Volume: 956.6430313865233
  • Molar Volume: 6.546635218275843
  • Full Formula: V4 P4 H44 O36
  • Reduced Formula: VPH11O9
  • Formula Anonymous: ABC9D11
  • Spacegroup Number: 76
  • Spacegroup Symbol: P4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -482.4886371
  • Final energy per atom: -5.482825421590909
  • 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.