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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199658

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-1199658
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['As', 'S', 'N']
  • Chemical System: As-N-S
  • Density: 1.6105800903875418
  • Atomic Density: 0.031644609357664694
  • Unit Cell Volume: 1011.2306850850483
  • Molar Volume: 19.030542270041856
  • Full Formula: As4 S16 N12
  • Reduced Formula: AsS4N3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -160.79971522
  • Final energy per atom: -5.024991100625
  • 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.