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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173649

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-1173649
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Na', 'Ni', 'H', 'S', 'O']
  • Chemical System: H-Na-Ni-O-S
  • Density: 3.3441106731412966
  • Atomic Density: 0.0986320103184379
  • Unit Cell Volume: 182.49653375092112
  • Molar Volume: 6.105665635889654
  • Full Formula: Na1 Ni2 H3 S2 O10
  • Reduced Formula: NaNi2H3(SO5)2
  • Formula Anonymous: AB2C2D3E10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -111.4839721
  • Final energy per atom: -6.193554005555556
  • 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.