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  1. Third-Parties
  2. MatprojStructure
  3. mp-758866

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-758866
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 6
  • Element list: ['Na', 'Li', 'Ni', 'C', 'S', 'O']
  • Chemical System: C-Li-Na-Ni-O-S
  • Density: 2.7874577284119737
  • Atomic Density: 0.09233328354838029
  • Unit Cell Volume: 628.159183460745
  • Molar Volume: 6.522177624978053
  • Full Formula: Na4 Li8 Ni4 C8 S2 O32
  • Reduced Formula: Na2Li4Ni2C4SO16
  • Formula Anonymous: AB2C2D4E4F16
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -398.97220548
  • Final energy per atom: -6.878831128965517
  • 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.