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  1. Third-Parties
  2. MatprojStructure
  3. mp-556154

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-556154
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['As', 'Se', 'S', 'N', 'F']
  • Chemical System: As-F-N-S-Se
  • Density: 2.641677915876851
  • Atomic Density: 0.05863547470271348
  • Unit Cell Volume: 1091.4894153153034
  • Molar Volume: 10.270473276685713
  • Full Formula: As4 Se4 S12 N20 F24
  • Reduced Formula: AsSeS3N5F6
  • Formula Anonymous: ABC3D5E6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -348.13354765
  • Final energy per atom: -5.43958668203125
  • 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.