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  1. Third-Parties
  2. MatprojStructure
  3. mp-781671

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-781671
  • 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: 58
  • Number of elements: 5
  • Element list: ['Na', 'Ni', 'As', 'C', 'O']
  • Chemical System: As-C-Na-Ni-O
  • Density: 3.0813703013545757
  • Atomic Density: 0.0848421426126034
  • Unit Cell Volume: 683.6225278377639
  • Molar Volume: 7.098053602320746
  • Full Formula: Na12 Ni4 As2 C8 O32
  • Reduced Formula: Na6Ni2As(CO4)4
  • Formula Anonymous: AB2C4D6E16
  • Spacegroup Number: 203
  • Spacegroup Symbol: Fd-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -388.18581784
  • Final energy per atom: -6.692858928275863
  • 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.