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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147696

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-1147696
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Li', 'Zn', 'P', 'S']
  • Chemical System: Li-P-S-Zn
  • Density: 2.019639024510909
  • Atomic Density: 0.048854821856419206
  • Unit Cell Volume: 634.5330680174571
  • Molar Volume: 12.326604685405744
  • Full Formula: Li10 Zn1 P4 S16
  • Reduced Formula: Li10Zn(PS4)4
  • Formula Anonymous: AB4C10D16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -143.15703044
  • Final energy per atom: -4.617968723870968
  • 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.