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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220997

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-1220997
  • 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: 18
  • Number of elements: 5
  • Element list: ['Na', 'Ni', 'Mo', 'H', 'O']
  • Chemical System: H-Mo-Na-Ni-O
  • Density: 3.9684157095895753
  • Atomic Density: 0.08685497441654517
  • Unit Cell Volume: 207.24201602632843
  • Molar Volume: 6.933558843870699
  • Full Formula: Na1 Ni2 Mo2 H3 O10
  • Reduced Formula: NaNi2Mo2H3O10
  • Formula Anonymous: AB2C2D3E10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -124.93294691
  • Final energy per atom: -6.940719272777778
  • 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.