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  1. Third-Parties
  2. MatprojStructure
  3. mp-707324

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-707324
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['P', 'H', 'S', 'N']
  • Chemical System: H-N-P-S
  • Density: 1.520035708092201
  • Atomic Density: 0.09062706246726206
  • Unit Cell Volume: 971.0123842068582
  • Molar Volume: 6.644969610678297
  • Full Formula: P8 H48 S8 N24
  • Reduced Formula: PH6SN3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -484.7207290299999
  • Final energy per atom: -5.508190102613636
  • 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.