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  1. Third-Parties
  2. MatprojStructure
  3. mp-686139

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-686139
  • 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: 120
  • Number of elements: 3
  • Element list: ['Na', 'Zr', 'S']
  • Chemical System: Na-S-Zr
  • Density: 3.132080125121316
  • Atomic Density: 0.04711099833700959
  • Unit Cell Volume: 2547.175908724695
  • Molar Volume: 12.782876552350857
  • Full Formula: Na38 Zr22 S60
  • Reduced Formula: Na19Zr11S30
  • Formula Anonymous: A11B19C30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -689.8203036299999
  • Final energy per atom: -5.748502530249999
  • 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.