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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147600

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-1147600
  • 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: 116
  • Number of elements: 4
  • Element list: ['Li', 'Zn', 'P', 'S']
  • Chemical System: Li-P-S-Zn
  • Density: 2.3226885975160916
  • Atomic Density: 0.0463689347244046
  • Unit Cell Volume: 2501.6748969854516
  • Molar Volume: 12.987446866728353
  • Full Formula: Li24 Zn12 P16 S64
  • Reduced Formula: Li6Zn3(PS4)4
  • Formula Anonymous: A3B4C6D16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -529.33413093
  • Final energy per atom: -4.563225266637931
  • 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.