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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195146

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-1195146
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 89
  • Number of elements: 5
  • Element list: ['Na', 'Ni', 'Mo', 'H', 'O']
  • Chemical System: H-Mo-Na-Ni-O
  • Density: 2.490526771650876
  • Atomic Density: 0.09503611504085743
  • Unit Cell Volume: 936.4860922791045
  • Molar Volume: 6.336686592682153
  • Full Formula: Na4 Ni1 Mo6 H38 O40
  • Reduced Formula: Na4NiMo6(H19O20)2
  • Formula Anonymous: AB4C6D38E40
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -538.35692862
  • Final energy per atom: -6.048954254157303
  • 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.