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  1. Third-Parties
  2. MatprojStructure
  3. mp-1363993

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-1363993
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Y', 'Si', 'Ni', 'O']
  • Chemical System: Ni-O-Si-Y
  • Density: 4.514085888218611
  • Atomic Density: 0.0862805372223764
  • Unit Cell Volume: 927.2079495032679
  • Molar Volume: 6.979720982124564
  • Full Formula: Y8 Si12 Ni12 O48
  • Reduced Formula: Y2Si3(NiO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -633.15049154
  • Final energy per atom: -7.914381144249999
  • 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.