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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147630

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-1147630
  • 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: 114
  • Number of elements: 4
  • Element list: ['Li', 'Zn', 'P', 'S']
  • Chemical System: Li-P-S-Zn
  • Density: 2.406869878991184
  • Atomic Density: 0.045870149165315954
  • Unit Cell Volume: 2485.2764177666863
  • Molar Volume: 13.128670539736449
  • Full Formula: Li20 Zn14 P16 S64
  • Reduced Formula: Li10Zn7(PS4)8
  • Formula Anonymous: A7B8C10D32
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -518.81742264
  • Final energy per atom: -4.551030023157895
  • 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.