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  1. Third-Parties
  2. MatprojStructure
  3. mp-985584

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-985584
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Na', 'P', 'S']
  • Chemical System: Na-P-S
  • Density: 2.1872230254551233
  • Atomic Density: 0.04617559245488087
  • Unit Cell Volume: 173.2517023537265
  • Molar Volume: 13.041826731047054
  • Full Formula: Na3 P1 S4
  • Reduced Formula: Na3PS4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -34.90272449
  • Final energy per atom: -4.36284056125
  • 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.