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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211324

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-1211324
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Li', 'P', 'S']
  • Chemical System: Li-P-S
  • Density: 1.803038331154851
  • Atomic Density: 0.05589765871477607
  • Unit Cell Volume: 1001.8308689053712
  • Molar Volume: 10.773511625466522
  • Full Formula: Li28 P4 S24
  • Reduced Formula: Li7PS6
  • Formula Anonymous: AB6C7
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -247.07970697
  • Final energy per atom: -4.412137624464285
  • 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.