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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180853

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-1180853
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Na', 'Ni', 'H', 'S', 'O']
  • Chemical System: H-Na-Ni-O-S
  • Density: 1.7888917531344055
  • Atomic Density: 0.07301536897540756
  • Unit Cell Volume: 684.7873358941813
  • Molar Volume: 8.24777145484032
  • Full Formula: Na4 Ni2 H16 S4 O24
  • Reduced Formula: Na2NiH8(SO6)2
  • Formula Anonymous: AB2C2D8E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -266.97877471
  • Final energy per atom: -5.3395754942
  • 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.