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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199406

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-1199406
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 5
  • Element list: ['V', 'Ni', 'H', 'N', 'O']
  • Chemical System: H-N-Ni-O-V
  • Density: 2.458278094660451
  • Atomic Density: 0.10369486397902335
  • Unit Cell Volume: 945.0805588580031
  • Molar Volume: 5.807559341818735
  • Full Formula: V10 Ni2 H40 N2 O44
  • Reduced Formula: V5NiH20NO22
  • Formula Anonymous: ABC5D20E22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -627.14310931
  • Final energy per atom: -6.399419482755102
  • 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.