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  1. Third-Parties
  2. MatprojStructure
  3. mp-1325790

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-1325790
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Si', 'Ni', 'O']
  • Chemical System: Ni-O-Si
  • Density: 2.579057329080216
  • Atomic Density: 0.07037794650202385
  • Unit Cell Volume: 852.5397938155895
  • Molar Volume: 8.556857736431429
  • Full Formula: Si16 Ni4 O40
  • Reduced Formula: Si4NiO10
  • Formula Anonymous: AB4C10
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -461.70863106
  • Final energy per atom: -7.695143851
  • 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.