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  1. Third-Parties
  2. MatprojStructure
  3. mp-8765

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-8765
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Na', 'Co', 'S']
  • Chemical System: Co-Na-S
  • Density: 2.7657428340465775
  • Atomic Density: 0.049264740067735284
  • Unit Cell Volume: 202.98493377313588
  • Molar Volume: 12.224038433411021
  • Full Formula: Na4 Co2 S4
  • Reduced Formula: Na2CoS2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -45.01107876
  • Final energy per atom: -4.501107876
  • 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.