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  1. Third-Parties
  2. MatprojStructure
  3. mp-19027

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-19027
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Na', 'Co', 'S', 'O']
  • Chemical System: Co-Na-O-S
  • Density: 2.2866457234685984
  • Atomic Density: 0.05208518083293913
  • Unit Cell Volume: 345.58774131425577
  • Molar Volume: 11.562100128471753
  • Full Formula: Na10 Co2 S2 O4
  • Reduced Formula: Na5CoSO2
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -78.64829612
  • Final energy per atom: -4.369349784444444
  • 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.