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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221560

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-1221560
  • 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: 60
  • Number of elements: 3
  • Element list: ['Na', 'Zr', 'S']
  • Chemical System: Na-S-Zr
  • Density: 3.1321194717830716
  • Atomic Density: 0.04711159016750003
  • Unit Cell Volume: 1273.5719551532152
  • Molar Volume: 12.78271596986845
  • Full Formula: Na19 Zr11 S30
  • Reduced Formula: Na19Zr11S30
  • Formula Anonymous: A11B19C30
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -344.98113549
  • Final energy per atom: -5.7496855915
  • 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.