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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-751967
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['V', 'Ni', 'P', 'H', 'O']
  • Chemical System: H-Ni-O-P-V
  • Density: 2.6894800072451277
  • Atomic Density: 0.08903951367122508
  • Unit Cell Volume: 1078.1730047906174
  • Molar Volume: 6.76344749841797
  • Full Formula: V8 Ni4 P8 H24 O52
  • Reduced Formula: V2NiP2H6O13
  • Formula Anonymous: AB2C2D6E13
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -634.7062451
  • Final energy per atom: -6.611523386458334
  • 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.