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  1. Third-Parties
  2. MatprojStructure
  3. mp-754856

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-754856
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Li', 'Y', 'Zr', 'S']
  • Chemical System: Li-S-Y-Zr
  • Density: 3.264805012378449
  • Atomic Density: 0.047796300447475515
  • Unit Cell Volume: 648.5857631191902
  • Molar Volume: 12.599596001405743
  • Full Formula: Li7 Y7 Zr1 S16
  • Reduced Formula: Li7Y7ZrS16
  • Formula Anonymous: AB7C7D16
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -197.5346152
  • Final energy per atom: -6.372084361290322
  • 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.