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  1. Third-Parties
  2. MatprojStructure
  3. mp-1001069

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-1001069
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 125
  • Number of elements: 3
  • Element list: ['Li', 'P', 'S']
  • Chemical System: Li-P-S
  • Density: 1.7430112429338835
  • Atomic Density: 0.04711732560552785
  • Unit Cell Volume: 2652.9519320879044
  • Molar Volume: 12.781159971637859
  • Full Formula: Li48 P16 S61
  • Reduced Formula: Li48P16S61
  • Formula Anonymous: A16B48C61
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -576.32491426
  • Final energy per atom: -4.61059931408
  • 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.