Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1364886

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-1364886
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Li', 'Zn', 'P', 'S']
  • Chemical System: Li-P-S-Zn
  • Density: 2.008954930858344
  • Atomic Density: 0.048596374933103405
  • Unit Cell Volume: 1275.8153274878568
  • Molar Volume: 12.392160461124794
  • Full Formula: Li20 Zn2 P8 S32
  • Reduced Formula: Li10Zn(PS4)4
  • Formula Anonymous: AB4C10D16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -169.49830307
  • Final energy per atom: -2.733843597903226
  • 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.