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  1. Third-Parties
  2. MatprojStructure
  3. mp-767467

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-767467
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 55
  • Number of elements: 4
  • Element list: ['Li', 'Y', 'Zr', 'S']
  • Chemical System: Li-S-Y-Zr
  • Density: 3.220961971229912
  • Atomic Density: 0.0423681335875747
  • Unit Cell Volume: 1298.145453736245
  • Molar Volume: 14.213844817006791
  • Full Formula: Li7 Y7 Zr9 S32
  • Reduced Formula: Li7Y7Zr9S32
  • Formula Anonymous: A7B7C9D32
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -376.73082489
  • Final energy per atom: -6.849651361636364
  • 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.