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  1. Third-Parties
  2. MatprojStructure
  3. mp-23983

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-23983
  • 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: 27
  • Number of elements: 5
  • Element list: ['V', 'Ni', 'P', 'H', 'O']
  • Chemical System: H-Ni-O-P-V
  • Density: 2.8060632415685127
  • Atomic Density: 0.100369719497394
  • Unit Cell Volume: 269.00543445975285
  • Molar Volume: 5.9999577463762455
  • Full Formula: V2 Ni1 P2 H8 O14
  • Reduced Formula: V2NiP2(H4O7)2
  • Formula Anonymous: AB2C2D8E14
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -183.38876244
  • Final energy per atom: -6.792176386666666
  • 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.